diff --git a/.github/workflows/pylint.yml b/.github/workflows/pylint.yml
index 3166eb96..fdd7a492 100644
--- a/.github/workflows/pylint.yml
+++ b/.github/workflows/pylint.yml
@@ -16,7 +16,7 @@ jobs:
         python-version: ${{ matrix.python-version }}
     - name: Install dependencies
       run: |
-        python -m pip install --upgrade pip
+        pip install wheel setuptools pip pybind11 --upgrade
         pip install -r ./requirements/dev.txt
         pip install pylint
     - name: Analysing the code with pylint
diff --git a/.github/workflows/pytest.yml b/.github/workflows/pytest.yml
index 8f16209c..6af9461e 100644
--- a/.github/workflows/pytest.yml
+++ b/.github/workflows/pytest.yml
@@ -9,20 +9,19 @@ jobs:
       matrix:
         python-version: ["3.10", "3.11", "3.12"]
     steps:
-    - uses: actions/checkout@v3
-    - name: Set up Python ${{ matrix.python-version }}
-      uses: actions/setup-python@v3
-      with:
-        python-version: ${{ matrix.python-version }}
-    - name: Install dependencies
-      run: |
-        python -m pip install --upgrade pip
-        pip install -r ./requirements/dev.txt
-        pip install pytest
-    - name: Build tests
-      run: |
-        python test_manager/__init__.py -t -g -tp
-    - name: Test the code with pytest
-      run: |
-        pytest ./test_manager/test_profiles.py
-        pytest ./test_manager/test_readers.py
+      - uses: actions/checkout@v3
+      - name: Set up Python ${{ matrix.python-version }}
+        uses: actions/setup-python@v3
+        with:
+          python-version: ${{ matrix.python-version }}
+      - name: Install dependencies
+        run: |
+          pip install wheel setuptools pip pybind11 --upgrade
+          pip install -r ./requirements/dev.txt
+          pip install pytest
+      - name: Build tests
+        run: |
+          python test_manager/__init__.py -t -g -tp
+      - name: Test the code with pytest
+        run: |
+          pytest .
diff --git a/converter_app/converters.py b/converter_app/converters.py
index 14d00d09..42446841 100644
--- a/converter_app/converters.py
+++ b/converter_app/converters.py
@@ -1,4 +1,5 @@
 import copy
+import datetime
 import logging
 import os
 import re
@@ -364,15 +365,21 @@ def match_profile(cls, client_id, file_data):
         """
         converter = None
         matches = 0
-
+        latest_profile_uploaded = 0
         for profile in Profile.list(client_id):
             current_converter = cls(profile, file_data)
             current_matches = current_converter.match()
-
+            try:
+                profile_uploaded = datetime.datetime.fromisoformat(
+                    profile.as_dict['data']['metadata'].get('uploaded')).timestamp()
+            except (ValueError, TypeError):
+                profile_uploaded = 1
             logger.info('profile=%s matches=%s', profile.id, current_matches)
-
-            if current_matches is not False and current_matches > matches:
+            if (current_matches is not False and
+                    (current_matches > matches or current_matches == matches and
+                    profile_uploaded > latest_profile_uploaded)):
+                matches = max(matches, current_matches)
+                latest_profile_uploaded = profile_uploaded
                 converter = current_converter
-                matches = current_matches
 
         return converter
diff --git a/converter_app/models.py b/converter_app/models.py
index 5f9dc06b..74384ebb 100644
--- a/converter_app/models.py
+++ b/converter_app/models.py
@@ -163,7 +163,7 @@ def list(cls, client_id):
         profiles_path = Path(current_app.config['PROFILES_DIR']).joinpath(client_id)
 
         if profiles_path.exists():
-            for file_path in Path.iterdir(profiles_path):
+            for file_path in sorted(Path.iterdir(profiles_path)):
                 profile_id = str(file_path.with_suffix('').name)
                 profile_data = cls.load(file_path)
                 yield cls(profile_data, client_id, profile_id)
diff --git a/converter_app/readers/ascii.py b/converter_app/readers/ascii.py
index 7bdce918..a4faaeb7 100644
--- a/converter_app/readers/ascii.py
+++ b/converter_app/readers/ascii.py
@@ -46,7 +46,7 @@ def prepare_tables(self):
                 row = row.replace('n.a.', '')
                 float_match = self.float_pattern.findall(row)
                 if float_match:
-                    float_match = [self.get_value(float_str) for float_str in float_match]
+                    float_match = [self.get_value(float_str.strip()) for float_str in float_match]
                     count = len(float_match)
 
                     if table['rows'] and count != previous_count:
diff --git a/converter_app/readers/helper/base.py b/converter_app/readers/helper/base.py
index 73e865e4..106778b8 100644
--- a/converter_app/readers/helper/base.py
+++ b/converter_app/readers/helper/base.py
@@ -19,6 +19,15 @@ def __init__(self):
             'rows': []
         })
 
+    def add_metadata(self, key, value):
+        """
+        Add metadata to table
+        :param key: Key of the metadata
+        :param value: Value of the metadata
+        :return:
+        """
+        self['metadata'].add_unique(key, value)
+
     def __add__(self, other):
         raise NotImplementedError
 
@@ -47,7 +56,7 @@ class Reader:
     """
     Base reader. Any reader needs to extend this abstract reader.
     """
-    float_pattern = re.compile(r'(-?\d+[,.]*\d*[eE+\-\d]*)\S*')
+    float_pattern = re.compile(r'[-+]?[0-9]*[.,]?[0-9]+(?:[eE][-+]?[0-9]+)?\s*')
     float_de_pattern = re.compile(r'(-?[\d.]+,\d*[eE+\-\d]*)')
     float_us_pattern = re.compile(r'(-?[\d,]+.\d*[eE+\-\d]*)')
 
@@ -117,7 +126,7 @@ def get_tables(self) -> list[Table]:
                         'name': f'Column #{idx + start_len_c}'
                     } for idx, value in enumerate(table['rows'][0][start_len_c:])]
                     table['columns'] = sorted(table['columns'], key=lambda x: int(x['key']))
-                for k,v in enumerate(table['columns'][:should_len_c]):
+                for k, v in enumerate(table['columns'][:should_len_c]):
                     v['key'] = f'{k}'
 
             table['metadata']['rows'] = str(len(table['rows']))
@@ -168,13 +177,25 @@ def get_shape(self, row) -> list:
                 cell = str(cell).strip()
                 if cell in self.empty_values:
                     shape.append('')
-                elif self.float_pattern.match(cell):
+                elif self.float_pattern.fullmatch(cell):
                     shape.append('f')
                 else:
                     shape.append('s')
 
         return shape
 
+    def as_number(self, value: str) -> float | int:
+        """
+        Returns a numeric value if possible:
+
+        :raises ValueError: If not convertable
+        :param value: as string
+        :return: numeric value either int or float
+        """
+        if re.match(r'^[+-]?\d+$', value) is not None:
+            return int(value)
+        return float(self.get_value(value))
+
     def get_value(self, value: str) -> str:
         """
         Checks if values is a stringified float and makes it to a standard.
diff --git a/converter_app/readers/uxd_reader.py b/converter_app/readers/uxd_reader.py
new file mode 100644
index 00000000..90351d58
--- /dev/null
+++ b/converter_app/readers/uxd_reader.py
@@ -0,0 +1,87 @@
+import logging
+
+from converter_app.models import File
+from converter_app.readers.helper.reader import Readers
+from converter_app.readers.helper.base import Reader
+
+logger = logging.getLogger(__name__)
+
+
+class UXDReader(Reader):
+    """
+    Reader for UDX files. Files from: Powder Diffraction -  Diffrac Plus
+
+    Test File: test_files/data_files/Powder Diffraction/Diffrac Plus/XCH-UXD/PD-01-02(2).UXD
+    """
+
+    identifier = 'uxd_reader'
+    priority = 10
+
+    def __init__(self, file: File):
+        super().__init__(file)
+        self._file_extensions = ['.uxd']
+        self._table = None
+        self._version = 2
+        self._max_table_length = 0
+
+    def check(self):
+        return self.file.suffix.lower() in self._file_extensions
+
+    def _read_data(self, line: str):
+        if self._version == 2:
+            try:
+                new_row = [self.as_number(x.strip()) for x in line.split(' ') if x != '']
+                if len(new_row) > 0:
+                    self._max_table_length = max(self._max_table_length, len(new_row))
+                    self._table['rows'].append(new_row)
+            except ValueError:
+                pass
+        elif self._version == 3:
+            try:
+                value = [self.as_number(x.strip()) for x in line.split('\t')]
+                self._table['rows'].append([value[0], value[1]])
+            except ValueError:
+                pass
+
+    def _add_metadata(self, key, val):
+        if self.float_pattern.fullmatch(val):
+            val = self.get_value(val)
+        self._table.add_metadata(key, val)
+
+    def prepare_tables(self):
+        tables = []
+        self._table = self.append_table(tables)
+        data_rows = []
+        for row in self.file.fp.readlines():
+            line = row.decode(self.file.encoding).rstrip()
+
+            if len(line) > 1 and (line[0] == '_' or line[0] == ';'):
+                self._table['header'].append(line)
+                if line[0] == '_' and line[1] != '+' and '=' in line:
+                    data = line.split('=')
+                    key = data[0].strip()[1:]
+                    value = data[1].strip().replace('\n', '')
+                    self._add_metadata(key, value)
+            else:
+                data_rows.append(line)
+        try:
+            self._version = int(self._table['metadata'].get('FILEVERSION'))
+        except ValueError:
+            self._version = 0
+
+        for row in data_rows:
+            self._read_data(row)
+
+        for row in self._table['rows']:
+            while len(row) < self._max_table_length:
+                row.append('')
+
+        if 'START' in self._table['metadata'] and 'STEPSIZE' in self._table['metadata']:
+            end = self.as_number(self._table['metadata']['START']) + (
+                        self.as_number(self._table['metadata']['STEPSIZE']) * (len(self._table['rows']) - 1))
+            self._table.add_metadata("END", end)
+
+        return tables
+
+
+Readers.instance().register(UXDReader)
diff --git a/converter_app/readers/xml_reader.py b/converter_app/readers/xml_reader.py
new file mode 100644
index 00000000..95b31122
--- /dev/null
+++ b/converter_app/readers/xml_reader.py
@@ -0,0 +1,125 @@
+import logging
+
+import xml.etree.ElementTree as ET
+
+from converter_app.models import File
+from converter_app.readers.helper.reader import Readers
+from converter_app.readers.helper.base import Reader
+
+logger = logging.getLogger(__name__)
+
+
+class XMLReader(Reader):
+    """
+    Reader for XML files.
+    """
+
+    identifier = 'xml_reader'
+    priority = 10
+
+    def __init__(self, file: File):
+        super().__init__(file)
+        self._file_extensions = ['.xml']
+        self._table = None
+        self._data_tables = []
+        self._potential_data_tables = {}
+
+    def check(self):
+        return self.file.suffix.lower() in self._file_extensions
+
+    def _get_tag_name(self, node:  ET.Element):
+        return node.tag.split('}', 1)[-1]
+
+
+    def _filter_data_rows(self, node:  ET.Element, text: str, xml_path: str) -> bool:
+        text_array = [x for x in text.strip().split(' ') if x != '']
+        shape = self.get_shape(text_array)
+        if all(x == 'f' for x in shape) and len(shape) > 1:
+            self._data_tables.append(self._generate_data_table(shape, xml_path, text_array, node))
+            return True
+        return False
+
+    def _generate_data_table(self, shape: list[str], xml_path: str, text_array: list[str], node: ET.Element):
+        return {
+            'shape': ''.join(shape),
+            'path': xml_path,
+            'values': [self.as_number(x) for x in text_array],
+            'node': node
+        }
+
+    def handle_node(self, node:  ET.Element, xml_path: str, node_name: str):
+        """
+        This method can be overridden to handle special nodes separately.
+
+        :param node: XML node Object
+        :param xml_path: Path in global XML-file to this node
+        :param node_name: Name of the Node
+        """
+        pass
+
+    def _add_metadata(self, key: str, val: any, node: ET.Element):
+        m = self.float_pattern.fullmatch(val)
+        if key in self._potential_data_tables:
+            if m and  self._potential_data_tables[key] is not None:
+                self._potential_data_tables[key]['values'].append(self.as_number(val))
+                self._potential_data_tables[key]['shape'] += 'f'
+            else:
+                self._potential_data_tables[key] = None
+        elif m:
+            self._potential_data_tables[key] = self._generate_data_table(['f'], key, [val], node)
+        self._table.add_metadata(key, val)
+
+    def _read_node(self, node: ET.Element, xml_path: str = '#'):
+        for child in node:
+            text = child.text
+
+            try:
+                local_name = self._get_tag_name(child)
+                new_path = f'{xml_path}.{local_name}'
+            except ValueError:
+                new_path = 'Unknown'
+                local_name = ''
+
+            self.handle_node(child, xml_path, local_name)
+
+            if text is not None and not self._filter_data_rows(child, text, new_path):
+                self._add_metadata(new_path, text.strip(), node)
+            for k, v in child.attrib.items():
+                self._add_metadata(f'{new_path}.{k}', v, node)
+
+            self._read_node(child, new_path)
+
+    def prepare_tables(self):
+        tables = []
+        self._table = self.append_table(tables)
+        root = ET.XML(self.file.content)
+        self._read_node(root)
+        self._merge_tables(self._data_tables, tables)
+
+        potential_tables = [x for k, x in self._potential_data_tables.items() if len(x['values']) > 1]
+        potential_tables.sort(key= lambda x : len(x['values']))
+        self._merge_tables(potential_tables, tables)
+
+
+        return tables
+
+    def _merge_tables(self, data_tables: list, tables):
+        current_shape = ''
+        for table_col in data_tables:
+            if current_shape != table_col['shape']:
+                current_shape = table_col['shape']
+                self._table = self.append_table(tables)
+                self._table['rows'] = [[] for x in range(len(table_col['values']))]
+
+            tag_name = self._get_tag_name(table_col['node'])
+            self._table.add_metadata(f"COL #{len(self._table['rows'][0])}", tag_name)
+            self._table.add_metadata(f"COL #{len(self._table['rows'][0])} XML PATH", table_col['path'])
+
+            for i, v in enumerate(table_col['values']):
+                self._table['rows'][i].append(v)
+
+            for k, v in table_col['node'].attrib.items():
+                self._table.add_metadata(f'{tag_name}.{k}', v)
+
+
+Readers.instance().register(XMLReader)
diff --git a/converter_app/readers/xrdml.py b/converter_app/readers/xrdml.py
new file mode 100644
index 00000000..cfac3985
--- /dev/null
+++ b/converter_app/readers/xrdml.py
@@ -0,0 +1,63 @@
+import xml.etree.ElementTree as ET
+
+from converter_app.models import File
+from converter_app.readers.xml_reader import XMLReader
+from converter_app.readers.helper.reader import Readers
+
+
+class XRDMLReader(XMLReader):
+    """
+    Reader for XRDML files. Powder diffraction from Bruker
+    """
+
+    identifier = 'xrdml_reader'
+
+    def __init__(self, file: File):
+        super().__init__(file)
+        self._file_extensions = ['.xrdml']
+        self._step_sizes = {}
+
+    def handle_node(self, node: ET.Element, xml_path: str, node_name: str):
+
+        try:
+            if node_name == 'positions':
+                if xml_path not in self._step_sizes:
+                    self._step_sizes[xml_path] = []
+                self._step_sizes[xml_path].append({
+                    'axis': node.attrib.get('axis', '-'),
+                    'unit': node.attrib.get('unit', '-'),
+                })
+                for child in node:
+                    if child.tag.endswith('startPosition'):
+                        self._step_sizes[xml_path][-1]['startPosition'] = self.as_number(child.text.strip())
+                    if child.tag.endswith('endPosition'):
+                        self._step_sizes[xml_path][-1]['endPosition'] = self.as_number(child.text.strip())
+        except ValueError:
+            pass
+
+    def _prepare_step_size(self, col_length, table):
+        for i in range(col_length):
+            mt_p = table['metadata'][f"COL #{i} XML PATH"]
+            for path, values in self._step_sizes.items():
+                if mt_p.startswith(path):
+                    for v in values:
+                        if 'endPosition' in v and 'startPosition' in v:
+                            step_size = (v['endPosition'] - v['startPosition']) / (len(table['rows']) - 1)
+                            table.add_metadata(f'COL #{col_length}.stepSize', step_size)
+                            table.add_metadata(f'COL #{col_length}.startPosition', v['startPosition'])
+                            table.add_metadata(f'COL #{col_length}.endPosition', v['endPosition'])
+                            table.add_metadata(f'COL #{col_length}.unit', v['unit'])
+                            table.add_metadata(f'COL #{col_length}.axis', v['axis'])
+                            col_length += 1
+
+    def prepare_tables(self):
+        tables = super().prepare_tables()
+        for table in tables:
+            row_length = len(table['rows'])
+            if row_length > 0:
+                col_length = len(table['rows'][0])
+                self._prepare_step_size(col_length, table)
+
+        return tables
+
+Readers.instance().register(XRDMLReader)
diff --git a/converter_app/tests.py b/converter_app/tests.py
deleted file mode 100644
index ef84f040..00000000
--- a/converter_app/tests.py
+++ /dev/null
@@ -1,39 +0,0 @@
-import json
-import os
-import shutil
-import traceback
-import pytest
-from werkzeug.datastructures import FileStorage
-
-from converter_app.app import create_app
-from converter_app.models import File
-from converter_app.readers import READERS as registry
-
-res_path = os.path.abspath(os.path.join(os.path.dirname(__file__), '../test_files/ConverterAutoResults'))
-src_path = os.path.abspath(os.path.join(os.path.dirname(__file__), '../test_files/ChemConverter'))
-
-@pytest.fixture
-def app():
-    """Get Flask app as fixture"""
-    yield create_app
-
-
-@pytest.fixture
-def test_files():
-    """Get Flask app as fixture"""
-    yield {
-        'res':res_path,
-        'src':src_path
-    }
-
-
-def test_settings_list(app, client):
-    """
-
-    :param app: Flask app factory
-    :param client: Flask client
-    """
-
-    app()
-    response = client.get('/')
-    assert response.status_code == 200
\ No newline at end of file
diff --git a/test_manager/__init__.py b/test_manager/__init__.py
index 96d890c4..e5d5efd4 100644
--- a/test_manager/__init__.py
+++ b/test_manager/__init__.py
@@ -89,7 +89,7 @@ def generate_test(src_path, file, res_path, _unused):
     parser.add_argument('-tp', '--test_profiles', action='store_true')
     parser.add_argument('-g', '--github', action='store_true')
     args = parser.parse_args()
-    if args.github or args.expected or args.tests or args.test_profiles or args.expected_profiles:
+    if args.github:
         load_profiles_from_git()
     if args.tests or args.expected:
         TEST_IDX = 0
diff --git a/test_manager/profile_results/LC/microTOFLC-Bruker/CompassDataAnalysis-xml/HZ_BA_1ba_5yl.xml.json b/test_manager/profile_results/LC/microTOFLC-Bruker/CompassDataAnalysis-xml/HZ_BA_1ba_5yl.xml.json
index 4feda1dd..1f5c1f17 100644
--- a/test_manager/profile_results/LC/microTOFLC-Bruker/CompassDataAnalysis-xml/HZ_BA_1ba_5yl.xml.json
+++ b/test_manager/profile_results/LC/microTOFLC-Bruker/CompassDataAnalysis-xml/HZ_BA_1ba_5yl.xml.json
@@ -1 +1 @@
-{"tables": [{"header": ["<root><fileinfo appname=\"Bruker Compass DataAnalysis\" appversion=\"4.2.395.0\" date=\"2023-06-07T11:29:43\" type=\"DataAnalysis Results\" typeversion=\"1.1\" subtype=\"Analysis Data\" creator=\"MRT\"/><generalinfo organisation=\"Bruker Customer\" user=\"User\" hostname=\"TOF-PC\" os=\"Windows 7\"/><analysis name=\"D:\\Data\\2023\\HZ_BA_1ba_BA2_01_4624.d\\analysis.baf\"><info><DateTime>2023-04-27T08:29:14+02:00</DateTime><method>tune low pos.m</method><sample>HZ_BA_1ba</sample><comment></comment><operator>MRT</operator><instrument>micrOTOF</instrument><instrument_serial_number>213750.00145</instrument_serial_number></info><DataAnalysis version=\"DataAnalysis 4.2.395.0\" DataAnalysisResults=\"\"><DataAnalysis_processing_parameters><find_compounds_chromatogram detect_version=\"3\" detect_areamode=\"1\" detect_areathresholdabs=\"0\" detect_areathresholdrel=\"0\" detect_intensitymode=\"1\" detect_intensitythresholdabs=\"3000\" detect_intensitythresholdrel=\"3\" detect_sensitivity=\"0.333333\" detect_skimratio=\"0\" detect_smoothingwidth=\"3\" detect_averageno=\"5\" detect_averagemode=\"0\" add_uv_or_ms_spectra=\"1\" spectrum_load_mode=\"2\" background_subtraction_mode=\"2\" MS_peaksensmode2=\"1\" MS_pc12=\"0.4\" MS_pc22=\"4\" MS_peaksens12=\"99\" MS_peaksens22=\"99\" MS_areamode2=\"2\" MS_areathresholdabs2=\"1000\" MS_areathresholdrel2=\"10\" MS_intensitymode2=\"0\" MS_intensitythresholdabs2=\"1000\" MS_intensitythresholdrel2=\"10\" MS_basesmoothmode2=\"1\" MS_basesmoothpts2=\"8\" MS_basesmoothmin2=\"12\" MS_basesmoothforce2=\"0.1\" MS_startendslope2=\"10\" MS_valleyfilterused2=\"1\" MS_valleyfilter2=\"10\" MS_noisecorr2=\"0\" UV_peaksensmode2=\"1\" UV_pc12=\"0.4\" UV_pc22=\"4\" UV_peaksens12=\"99.9\" UV_peaksens22=\"100\" UV_areamode2=\"0\" UV_areathresholdabs2=\"10\" UV_areathresholdrel2=\"1\" UV_intensitymode2=\"1\" UV_intensitythresholdabs2=\"1\" UV_intensitythresholdrel2=\"0.01\" UV_basesmoothmode2=\"1\" UV_basesmoothpts2=\"8\" UV_basesmoothmin2=\"12\" UV_basesmoothforce2=\"0.9\" UV_startendslope2=\"10\" UV_valleyfilterused2=\"0\" UV_valleyfilter2=\"10\" UV_noisecorr2=\"0\" detect_delcmpdsinrng=\"1\"/><auto_ms_n use_retention_time_window=\"0\" retention_time_window=\"1\" rt_unit=\"min\" minimum_intensity_positive=\"1000\" minimum_intensity_negative=\"1000\" create_max_number_compounds=\"100000\" spectrum_load_mode=\"0\" background_type=\"0\" create_auto_ms_n_traces=\"0\" create_detailed_traces=\"0\" merge_positive_negative_compounds=\"0\" detect_delcmpdsinrng=\"1\" detect_keep_cmpds_detectedneutralloss=\"0\" add_uv_spectra=\"1\" advanced_precursor_determination=\"0\"/><dissect_params dissect_addsmoothing=\"0\" dissect_allow_wider_peaks=\"0\" dissect_resolving_power=\"1\" dissect_set_expected_width=\"0\" dissect_expected_width=\"3\" dissect_deletepeaksinrange=\"1\" dissect_fullrange=\"1\" dissect_cutoff=\"0.1\" dissect_sensitivity=\"3\" dissect_maxoverlap=\"5\" dissect_smoothwidth=\"1\" spectrum_load_mode=\"0\" add_uv_spectra=\"1\"/><find_all_compounds min_time_points=\"20\" min_correlation=\"0.7\" background_type=\"0\" load_spec_type=\"2\" additional_smoothing=\"1\" proteomics=\"1\" chrom_sn_threshold=\"3\" chrom_smoothingwidth=\"10\" detect_delcmpdsinrng=\"1\" add_MSMS_spectra=\"1\" adducts_positive_mode=\"\" adducts_negative_mode=\"\"/><ms_peak_finder ms_peak_finder_type=\"3\" ms_manually_use_peak_finder=\"1\"><ms_peak_finder_apex minimum_intensity=\"100\" peak_width=\"0.05\" peak_width_msms=\"0.05\" relative_threshold_base_peak=\"0.1\" signal_to_noise=\"10\"/><ms_peak_finder_centroid peak_width=\"1\" peak_width_msms=\"1\" signal_to_noise=\"1\" relative_threshold_base_peak=\"2\" minimum_intensity=\"100\" centroid_percentage=\"80\"/><ms_peak_finder_snap minimum_intensity=\"0\" relative_threshold_base_peak=\"0\" signal_to_noise=\"2\" maximum_charge=\"12\" quality_factor_threshold=\"0.9\" number_of_patterns=\"500000\" building_block_1=\"C 4.9384 N 1.3577 O 1.4773 S 0.0417 H 7.7583\" building_block_2=\"\" use_snap_2=\"1\" add_detailed_results=\"0\"/><ms_peak_finder_sumpeak minimum_intensity=\"100\" peak_width=\"5\" use_datapoints=\"1\" sum_width=\"5\" relative_threshold_base_peak=\"0.1\" signal_to_noise=\"1\" baseline_type=\"1\" baseline_flatness=\"1\" same_sumwidth_as_acquisition=\"1\" use_resolution=\"0\" res=\"10000\" instrument_sum_width=\"5\"/><ms_peak_finder_ftms signal_to_noise=\"4\" relative_threshold_base_peak=\"0.01\" minimum_intensity=\"100\" centroid_percentage=\"80\" use_centroid=\"0\"/><ms_peak_finder_line_spectra apply_line_spectra_threshold=\"0\" line_spectra_threshold=\"10\"/></ms_peak_finder><deconvolution clear_prev_results=\"1\" create_neutral_spectrum=\"0\" incl_shifted_spectra=\"0\" ret_residuals=\"0\" incl_comp_details=\"0\" show_comp_details=\"0\" substance_class=\"1\" extend_evelope=\"0\" extend_before=\"1\" extend_after=\"1\" set_precursor_mono_isotopic=\"1\" auto_apply=\"0\"><deconvolution_detailed perf_deconv=\"1\" rel_isotop_deconv=\"0\" resolve_isotop=\"1\" exclude_reporter_ions=\"0\" reporter_ions=\"0\" proteomics=\"1\" abund_cutoff=\"2\" envelope_cutoff=\"75\" high_mass=\"4000\" low_mass=\"250\" mw_agreement=\"0\" maximum_charge=\"10\" max_charge_isotop=\"5\" min_charge=\"1\" min_peaks=\"3\" precursor_deconv=\"0\" max_components=\"10\" adduct_ion_name=\"+H\" adduct_ion_mass=\"1.00728\" apply_min_max_mass_boundaries=\"0\"/><deconvolution_detailed perf_deconv=\"1\" rel_isotop_deconv=\"0\" resolve_isotop=\"1\" exclude_reporter_ions=\"0\" reporter_ions=\"0\" proteomics=\"1\" abund_cutoff=\"2\" envelope_cutoff=\"75\" high_mass=\"4000\" low_mass=\"250\" mw_agreement=\"5\" maximum_charge=\"3\" max_charge_isotop=\"5\" min_charge=\"1\" min_peaks=\"3\" precursor_deconv=\"0\" max_components=\"10\" adduct_ion_name=\"+H\" adduct_ion_mass=\"1.00728\" apply_min_max_mass_boundaries=\"0\"/><deconvolution_detailed perf_deconv=\"1\" rel_isotop_deconv=\"0\" resolve_isotop=\"1\" exclude_reporter_ions=\"1\" reporter_ions=\"0\" proteomics=\"1\" abund_cutoff=\"0.5\" envelope_cutoff=\"75\" high_mass=\"2000\" low_mass=\"50\" mw_agreement=\"5\" maximum_charge=\"3\" max_charge_isotop=\"4\" min_charge=\"1\" min_peaks=\"3\" precursor_deconv=\"0\" max_components=\"10\" adduct_ion_name=\"+H\" adduct_ion_mass=\"1.00728\" apply_min_max_mass_boundaries=\"0\"/><deconvolution_detailed perf_deconv=\"1\" rel_isotop_deconv=\"1\" resolve_isotop=\"0\" exclude_reporter_ions=\"0\" reporter_ions=\"0\" proteomics=\"1\" abund_cutoff=\"10\" envelope_cutoff=\"75\" high_mass=\"100000\" low_mass=\"5000\" mw_agreement=\"5\" maximum_charge=\"100\" max_charge_isotop=\"0\" min_charge=\"1\" min_peaks=\"3\" precursor_deconv=\"0\" max_components=\"10\" adduct_ion_name=\"+H\" adduct_ion_mass=\"1.00728\" apply_min_max_mass_boundaries=\"1\"/><max_entropy_deconvolution adduct_ion_name=\"-H\" adduct_ion_mass=\"-1.00783\" low_mass=\"5000\" high_mass=\"100000\" spacint_out=\"0\" resolving_power=\"10000\" peak_width=\"0.3\" width=\"1\" maxentx=\"0\"/></deconvolution><mascot_export globalchargelimit_apply=\"1\" globalchargelimit=\"1+, 2+ and 3+\" prefer_fullscan_deconvolution_results=\"1\" deconvolution_export_type=\"2\" msmssignals=\"50\" threshold=\"100\" mssignals_deconv=\"2\" mssignals_non_deconv=\"20\" normalize_msms=\"0\" single_charged=\"0\"/><process_parameters baseline_flatness=\"0.8\" baseline_addchild=\"1\" baseline_disableoriginal=\"0\" baseline_usesamecolor=\"1\" smoothing_algorithm=\"1\" smoothing_width=\"0.2\" smoothing_cycles=\"1\" smoothing_addchild=\"1\" smoothing_disableoriginal=\"0\" smoothing_usesamecolor=\"1\"/><process_parameters baseline_flatness=\"0.8\" baseline_addchild=\"1\" baseline_disableoriginal=\"0\" baseline_usesamecolor=\"1\" smoothing_algorithm=\"1\" smoothing_width=\"0.2\" smoothing_cycles=\"1\" smoothing_addchild=\"1\" smoothing_disableoriginal=\"0\" smoothing_usesamecolor=\"1\"/><display_params mass_precision=\"4\" time_precision=\"1\" structure_size=\"30\" chrom_peak_label=\"Compound name (vertical)\"/><calibration_params calibration_range=\"0.05\" calibration_listname=\"Na Formate (pos)\" calibration_listgroupname=\"ESI\" calibration_fit_mode=\"2\" calibration_intensitythreshold=\"1000\"/><calibration_lockmass_params calibration_range=\"0.05\" calibration_listname=\"Lockmass 1222\" calibration_listgroupname=\"ESI\" calibration_intensitythreshold=\"1000\" calibration_lockmassmode=\"0\"/><library_search_params del_prev_res=\"1\"><library_search_basic_params accept_score=\"50\" allowmasses_above=\"0\" allowmasses_below=\"0\" desired_score=\"900\" increasedepth=\"0\" maxnr_spectra=\"10\" match_all=\"0\" sort_by=\"1\" include_precursor_spectra=\"1\" include_uv_spectra=\"0\" exclude_precursor_signals=\"0\" skip_low_frgamnet_spectra=\"1\" min_effective_score=\"500\" minmatch_score=\"250\" min_score=\"400\"/><library_search_advanced_params add_int_range=\"5\" extended=\"1\" locnorm=\"0\" root=\"0\" hwfstp=\"50\" hwscdp=\"7\" intrangefac=\"1.9\" locnormeqfac=\"1\" locnormfac=\"2\" locnormwin=\"25\" masdisint=\"20\" minsrcint=\"100\" minspepresrc=\"15\" threshfstp=\"40\" maskadducts=\"0\" maskprecursor=\"0\"/><library_search_libraries_params add_unid=\"0\" srcparallel=\"0\" libraries=\"'D:\\Data\\Libraries\\AminoAcids_OPA.mlb\\AminoAcids_OPA.mlb' \" librariey_unidentified=\"\"/><library_search_match_params chrgdeconv=\"0\" collenerg=\"0\" fragampl=\"1\" instrtp=\"2\" ionmeth=\"1\" isolwidth=\"0\" msmsstg=\"2\" ms_vs_msms=\"4\" pkwidth=\"0\" polarity=\"4\" psd=\"0\" precion=\"0\" prodion=\"0\" rgtgaspress=\"0\" rgtion=\"0\" refl=\"0\" trgtgas=\"0\" trgtgaspress=\"0\" trapdrv=\"1\"/><library_search_add_params add_confirm_mode=\"0\"/><library_search_rt_params accepted_deviation=\"1\" apply_rt_match=\"0\" match_columnname=\"1\" max_deviation=\"5\" apply_precursor_match=\"0\" use_precursor_ppm=\"0\" precursor_ppm=\"10\" precursor_mda=\"100\" apply_accuracy=\"0\" use_accuracy_ppm=\"0\" accuracy_ppm=\"20\" accuracy_mda=\"200\"/></library_search_params><masslist_layout layout_columntypes=\"1 2 6 5 3 11 4 \" layout_columnwidth=\"23 32 37 32 19 32 46 \"/><cmpdlist_layout layout_columntypes=\"14 20 1 23 12 26 31 6 52 \" layout_columnwidth=\"23 55 38 60 19 32 86 59 73 \"/><molecular_formula_layout layout_columntypes=\"24 1 2 3 5 18 12 40 7 9 8 \" layout_columnwidth=\"-1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 \"/><general_unknown_layout layout_columntypes=\"6 0 5 3 4 2 12 14 10 11 \" layout_columnwidth=\"-1 -1 -1 -1 -1 -1 -1 -1 -1 -1 \"/><target_screening_layout layout_columntypes=\"15 14 6 5 43 11 1 2 17 7 8 9 10 4 3 39 40 41 42 16 18 19 25 20 21 22 23 24 31 26 27 28 29 30 37 32 33 34 35 36 \" layout_columnwidth=\"-1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 \"/><exclusion_masses/><xml_export_parameters export_detailed_information=\"0\" export_peptide_database_query_information=\"1\" export_full_peptide_database_query_information=\"1\" protein_analysis_export_mgf=\"1\" protein_analysis_export_xml=\"1\"/><smf1D_params max_nr_formulae=\"500\" z=\"1\" rdb_min=\"0\" rdb_max=\"80\" tolerance_ppm=\"5\" tolerance_abs=\"2\" tolerance_ppm_MSn=\"5\" tolerance_abs_MSn=\"2\" use_rel_tolerance=\"1\" use_rel_tolerance_MSn=\"0\" lower_bound_formula=\"\" upper_bound_formula=\"\" electron_configuration=\"2\" electron_configuration_MSn=\"0\" sigma_limit=\"0.02\" sigma_limit_MSn=\"0.05\" HC_Ratio_min=\"0\" HC_Ratio_max=\"3\" filtering=\"1\" patternsearch=\"0\" validate_formulae=\"1\" filter_by_elementratio=\"1\" estimate_carbon_count=\"1\" relative_threshold_base_peak=\"10\" delete_previous_results=\"1\" incl_exclusion_masses=\"0\" filter_criteriy=\"0\" adducts_positive_mode=\"'M+H' \" adducts_negative_mode=\"'M-H' \" collect_adducts=\"0\"/><smf3D_params tolerance_neutralloss=\"2\" intensitythresholdabs2=\"100\" intensity_threshold_abs_msms=\"100\" auto_filter=\"0\" nr_explained_peaks=\"5\" highlight_unexplained_peaks=\"0\" processing_window_left=\"3\" processing_window_right=\"5\"/><uv_parameters rt_offset=\"3\"/><target_screening delta_rt=\"1.5\" threshold_sigma=\"0.05\" detection_tolerance=\"0.005\" identification_tolerance=\"10\" detection_tolerance_ppm=\"5\" identification_tolerance_ppm=\"5\" use_tolerance_ppm=\"0\" compound_database=\"C:\\BDALSystemData\\BuildingBlocks\\TargetScreeningDataBase.csv\" use_sampleinfo_xml=\"0\" rt_range_start=\"0\" rt_range_end=\"0\" additional_smoothing=\"0\" create_chromatogram_time_slices=\"1\" rt_window_halfwidth=\"45\" enable_BPC=\"1\" evaluate_qualifier_ions=\"1\" qualifier_ion_intensity_threshold=\"0\" group_id=\"':' \" lc_method_id=\":\" ms_method_id=\":\" matrix_id=\":\" useDB=\"0\" sortanalytes=\"4\"/><automatic_calibration use_calibration_segment=\"0\" automatic_calibration=\"0/0\" automatic_calibration_use_spectrum_type=\"0\" automatic_calibration_retain_data=\"0\" automatic_calibration_perform_lockmass=\"0\"/><target_screening_scoring threshold1_qualityfactor=\"0.02\" threshold2_qualityfactor=\"0.05\" threshold1_massaccuracy=\"3\" threshold2_massaccuracy=\"10\" threshold1_retentiontime=\"20\" threshold2_retentiontime=\"40\" use_tolerance_ppm=\"0\"/></DataAnalysis_processing_parameters><peptide_database_querydata subtype=\"LC-MS Compounds\"><compounds><count_fragmentation_type_compounds cid=\"0\" etd=\"0\" cidetd=\"0\" ptr_etd=\"0\"/><cmpd cmpdnr=\"1\" rt=\"4.67117\" rt_unit=\"min\"><title>Cmpd 1, 4.7 min</title><ms_spectrum info=\"+MS, 4.6-4.7min #554-566\" msmsinfo=\"All MS\" polarity=\"+\" scanmode=\"fullscan\" seq_nr_start=\"554\" seq_nr_end=\"566\" spec_index=\"0\" spec_nrs=\"554/555/556/557/558/559/560/561/562/563/564/565/566\" rt=\"4.68022\" rt_unit=\"min\"><ms_peaks><pk mz=\"120.04212\" i=\"213\" sn=\"97.8\" fwhm=\"0.02268\"/><pk mz=\"142.02417\" i=\"90\" sn=\"41.5\" fwhm=\"0.02464\"/><pk mz=\"148.03760\" i=\"154\" sn=\"70.4\" fwhm=\"0.02726\"/><pk mz=\"154.04345\" i=\"32\" sn=\"14.7\" fwhm=\"0.02922\"/><pk mz=\"170.02321\" i=\"315\" sn=\"144.1\" fwhm=\"0.02863\"/><pk mz=\"173.07742\" i=\"25\" sn=\"11.5\" fwhm=\"0.02867\"/><pk mz=\"188.06588\" i=\"105\" sn=\"48.0\" fwhm=\"0.02972\"/><pk mz=\"229.05584\" i=\"12\" sn=\"5.4\" fwhm=\"0.03718\"/><pk mz=\"230.05814\" i=\"48\" sn=\"22.1\" fwhm=\"0.03482\"/><pk mz=\"267.07894\" i=\"12\" sn=\"5.6\" fwhm=\"0.04042\"/><pk mz=\"276.11343\" i=\"59\" sn=\"26.9\" fwhm=\"0.04555\"/><pk mz=\"288.28703\" i=\"48\" sn=\"22.1\" fwhm=\"0.03964\"/><pk mz=\"289.05781\" i=\"3102\" z=\"1+\" sn=\"1190.6\" fwhm=\"0.04189\"/><pk mz=\"289.27197\" i=\"81\" sn=\"37.3\" fwhm=\"0.08153\"/><pk mz=\"305.03509\" i=\"101\" sn=\"46.1\" fwhm=\"0.04278\"/><pk mz=\"317.05303\" i=\"251\" z=\"1+\" sn=\"96.2\" fwhm=\"0.04596\"/><pk mz=\"393.29531\" i=\"15\" sn=\"6.9\" fwhm=\"0.05523\"/><pk mz=\"394.29891\" i=\"56\" sn=\"25.8\" fwhm=\"0.05482\"/><pk mz=\"413.26487\" i=\"45\" sn=\"20.7\" fwhm=\"0.05447\"/><pk mz=\"434.17560\" i=\"82\" sn=\"37.4\" fwhm=\"0.05910\"/><pk mz=\"475.19158\" i=\"33\" sn=\"15.3\" fwhm=\"0.06186\"/><pk mz=\"508.20039\" i=\"59\" sn=\"27.1\" fwhm=\"0.06201\"/></ms_peaks><annotation_list/></ms_spectrum></cmpd><cmpd cmpdnr=\"2\" rt=\"5.27233\" rt_unit=\"min\"><title>Cmpd 2, 5.3 min</title><ms_spectrum info=\"+MS, 5.2-5.4min #622-643\" msmsinfo=\"All MS\" polarity=\"+\" scanmode=\"fullscan\" seq_nr_start=\"622\" seq_nr_end=\"643\" spec_index=\"0\" spec_nrs=\"622/623/624/625/626/627/628/629/630/631/632/633/634/635/636/637/638/639/640/641/642/643\" rt=\"5.28498\" rt_unit=\"min\"><ms_peaks><pk mz=\"119.05833\" i=\"721\" sn=\"710.3\" fwhm=\"0.02295\"/><pk mz=\"120.05119\" i=\"139\" sn=\"136.8\" fwhm=\"0.03648\"/><pk mz=\"205.04071\" i=\"164\" sn=\"161.9\" fwhm=\"0.03213\"/><pk mz=\"206.04936\" i=\"18180\" z=\"1+\" sn=\"10066.6\" fwhm=\"0.03392\"/><pk mz=\"206.21681\" i=\"257\" sn=\"253.6\" fwhm=\"0.08455\"/><pk mz=\"222.02111\" i=\"125\" sn=\"123.0\" fwhm=\"0.03160\"/><pk mz=\"234.91678\" i=\"159\" sn=\"156.6\" fwhm=\"0.10099\"/><pk mz=\"235.08620\" i=\"53157\" z=\"1+\" sn=\"43442.2\" fwhm=\"0.04205\"/><pk mz=\"235.26180\" i=\"810\" sn=\"797.3\" fwhm=\"0.09893\"/><pk mz=\"236.27268\" i=\"141\" sn=\"138.6\" fwhm=\"0.08854\"/><pk mz=\"250.05077\" i=\"263\" sn=\"259.1\" fwhm=\"0.04100\"/><pk mz=\"257.07216\" i=\"302\" sn=\"297.4\" fwhm=\"0.04266\"/><pk mz=\"263.08168\" i=\"594\" sn=\"584.9\" fwhm=\"0.03928\"/><pk mz=\"276.10898\" i=\"141\" sn=\"138.8\" fwhm=\"0.04076\"/><pk mz=\"277.09738\" i=\"261\" sn=\"257.3\" fwhm=\"0.04206\"/><pk mz=\"285.06408\" i=\"537\" sn=\"528.7\" fwhm=\"0.04227\"/><pk mz=\"299.07740\" i=\"368\" sn=\"362.4\" fwhm=\"0.04180\"/><pk mz=\"307.09655\" i=\"130\" sn=\"128.3\" fwhm=\"0.04351\"/><pk mz=\"370.04359\" i=\"128\" sn=\"125.7\" fwhm=\"0.05031\"/><pk mz=\"439.12156\" i=\"199\" sn=\"195.5\" fwhm=\"0.05248\"/><pk mz=\"467.15232\" i=\"389\" sn=\"383.0\" fwhm=\"0.05767\"/><pk mz=\"485.17025\" i=\"135\" sn=\"132.8\" fwhm=\"0.06721\"/></ms_peaks><annotation_list/></ms_spectrum></cmpd><cmpd cmpdnr=\"3\" rt=\"5.67933\" rt_unit=\"min\"><title>Cmpd 3, 5.7 min</title><ms_spectrum info=\"+MS, 5.6-5.8min #675-689\" msmsinfo=\"All MS\" polarity=\"+\" scanmode=\"fullscan\" seq_nr_start=\"675\" seq_nr_end=\"689\" spec_index=\"0\" spec_nrs=\"675/676/677/678/679/680/681/682/683/684/685/686/687/688/689\" rt=\"5.69791\" rt_unit=\"min\"><ms_peaks><pk mz=\"120.04250\" i=\"614\" sn=\"141.4\" fwhm=\"0.02323\"/><pk mz=\"121.04508\" i=\"91\" sn=\"20.9\" fwhm=\"0.02164\"/><pk mz=\"173.07715\" i=\"452\" sn=\"104.1\" fwhm=\"0.02859\"/><pk mz=\"229.05493\" i=\"98\" sn=\"22.7\" fwhm=\"0.03441\"/><pk mz=\"245.06968\" i=\"117\" sn=\"27.0\" fwhm=\"0.03634\"/><pk mz=\"304.10538\" i=\"247\" sn=\"56.9\" fwhm=\"0.04345\"/><pk mz=\"308.09958\" i=\"95\" sn=\"21.8\" fwhm=\"0.05661\"/><pk mz=\"322.11521\" i=\"81\" sn=\"18.7\" fwhm=\"0.04439\"/><pk mz=\"330.08959\" i=\"109\" sn=\"25.2\" fwhm=\"0.04905\"/><pk mz=\"341.10108\" i=\"142\" sn=\"32.6\" fwhm=\"0.04346\"/><pk mz=\"422.82999\" i=\"107\" sn=\"24.7\" fwhm=\"0.12803\"/><pk mz=\"423.14244\" i=\"49953\" z=\"1+\" sn=\"8433.7\" fwhm=\"0.05615\"/><pk mz=\"445.12557\" i=\"653\" sn=\"150.5\" fwhm=\"0.05965\"/><pk mz=\"446.12903\" i=\"153\" sn=\"35.3\" fwhm=\"0.05975\"/><pk mz=\"447.12037\" i=\"96\" sn=\"22.2\" fwhm=\"0.06581\"/><pk mz=\"451.13557\" i=\"137\" sn=\"31.5\" fwhm=\"0.06847\"/><pk mz=\"453.13084\" i=\"163\" sn=\"37.4\" fwhm=\"0.06658\"/><pk mz=\"454.13051\" i=\"107\" sn=\"24.6\" fwhm=\"0.05372\"/><pk mz=\"461.09558\" i=\"84\" sn=\"19.3\" fwhm=\"0.05821\"/><pk mz=\"465.15394\" i=\"80\" sn=\"18.3\" fwhm=\"0.06364\"/><pk mz=\"667.19398\" i=\"113\" sn=\"26.0\" fwhm=\"0.07450\"/></ms_peaks><annotation_list/></ms_spectrum></cmpd><cmpd cmpdnr=\"4\" rt=\"7.152\" rt_unit=\"min\"><title>Cmpd 4, 7.2 min</title><ms_spectrum info=\"+MS, 7.1-7.2min #852-867\" msmsinfo=\"All MS\" polarity=\"+\" scanmode=\"fullscan\" seq_nr_start=\"852\" seq_nr_end=\"867\" spec_index=\"0\" spec_nrs=\"852/853/854/855/856/857/858/859/860/861/862/863/864/865/866/867\" rt=\"7.17854\" rt_unit=\"min\"><ms_peaks><pk mz=\"173.07673\" i=\"225\" sn=\"37.8\" fwhm=\"0.02979\"/><pk mz=\"218.06194\" i=\"8\" sn=\"1.4\" fwhm=\"0.03237\"/><pk mz=\"235.08557\" i=\"30\" sn=\"5.0\" fwhm=\"0.03455\"/><pk mz=\"304.10535\" i=\"25\" sn=\"4.2\" fwhm=\"0.04174\"/><pk mz=\"306.11713\" i=\"13\" sn=\"2.2\" fwhm=\"0.04269\"/><pk mz=\"366.08582\" i=\"588\" z=\"1+\" sn=\"77.4\" fwhm=\"0.04947\"/><pk mz=\"382.06451\" i=\"6\" sn=\"1.0\" fwhm=\"0.04826\"/><pk mz=\"394.29415\" i=\"9\" sn=\"1.4\" fwhm=\"0.04261\"/><pk mz=\"425.07219\" i=\"91\" sn=\"15.2\" fwhm=\"0.05728\"/><pk mz=\"427.24165\" i=\"18\" sn=\"3.0\" fwhm=\"0.06049\"/><pk mz=\"429.25847\" i=\"247\" sn=\"41.6\" fwhm=\"0.05702\"/><pk mz=\"430.25957\" i=\"11\" sn=\"1.9\" fwhm=\"0.05132\"/><pk mz=\"465.38206\" i=\"17\" sn=\"2.9\" fwhm=\"0.05661\"/><pk mz=\"471.11261\" i=\"106\" sn=\"17.9\" fwhm=\"0.05756\"/><pk mz=\"472.10919\" i=\"15\" sn=\"2.6\" fwhm=\"0.04643\"/><pk mz=\"482.13689\" i=\"132\" sn=\"22.3\" fwhm=\"0.05927\"/><pk mz=\"509.10649\" i=\"101\" sn=\"17.0\" fwhm=\"0.06401\"/><pk mz=\"513.12250\" i=\"4863\" z=\"1+\" sn=\"541.2\" fwhm=\"0.06578\"/><pk mz=\"529.12245\" i=\"91\" sn=\"15.3\" fwhm=\"0.06506\"/><pk mz=\"537.10631\" i=\"145\" sn=\"24.4\" fwhm=\"0.06130\"/><pk mz=\"551.08168\" i=\"8\" sn=\"1.3\" fwhm=\"0.09394\"/></ms_peaks><annotation_list/></ms_spectrum></cmpd></compounds></peptide_database_querydata></DataAnalysis></analysis><checksums><DataAnalysis_checksum>ebf425481a45c665073c261c1eb5544c</DataAnalysis_checksum></checksums></root>"], "metadata": {"rows": "0", "columns": "0"}, "columns": [], "rows": []}], "metadata": {"file_name": "HZ_BA_1ba_5yl.xml", "content_type": "", "mime_type": "text/plain", "extension": ".xml", "reader": "CSVReader", "uploaded": "2024-07-15T10:22:34.132353", "lineterminator": "\\r\\n", "quoting": "0", "doublequote": "True", "delimiter": "comma", "quotechar": "\"", "skipinitialspace": "True"}}
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+{"tables": [{"header": [], "metadata": {"#.fileinfo.appname": "Bruker Compass DataAnalysis", "#.fileinfo.appversion": "4.2.395.0", "#.fileinfo.date": "2023-06-07T11:29:43", "#.fileinfo.type": "DataAnalysis Results", "#.fileinfo.typeversion": "1.1", "#.fileinfo.subtype": "Analysis Data", "#.fileinfo.creator": "MRT", "#.generalinfo.organisation": "Bruker Customer", "#.generalinfo.user": "User", "#.generalinfo.hostname": "TOF-PC", "#.generalinfo.os": "Windows 7", "#.analysis.name": "D:\\Data\\2023\\HZ_BA_1ba_BA2_01_4624.d\\analysis.baf", "#.analysis.info.DateTime": "2023-04-27T08:29:14+02:00", "#.analysis.info.method": "tune low pos.m", "#.analysis.info.sample": "HZ_BA_1ba", "#.analysis.info.operator": "MRT", "#.analysis.info.instrument": "micrOTOF", "#.analysis.info.instrument_serial_number": "213750.00145", "#.analysis.DataAnalysis.version": "DataAnalysis 4.2.395.0", "#.analysis.DataAnalysis.DataAnalysisResults": "", 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12 40 7 9 8 ", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.molecular_formula_layout.layout_columnwidth": "-1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 ", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.general_unknown_layout.layout_columntypes": "6 0 5 3 4 2 12 14 10 11 ", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.general_unknown_layout.layout_columnwidth": "-1 -1 -1 -1 -1 -1 -1 -1 -1 -1 ", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.target_screening_layout.layout_columntypes": "15 14 6 5 43 11 1 2 17 7 8 9 10 4 3 39 40 41 42 16 18 19 25 20 21 22 23 24 31 26 27 28 29 30 37 32 33 34 35 36 ", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.target_screening_layout.layout_columnwidth": "-1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 ", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.xml_export_parameters.export_detailed_information": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.xml_export_parameters.export_peptide_database_query_information": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.xml_export_parameters.export_full_peptide_database_query_information": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.xml_export_parameters.protein_analysis_export_mgf": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.xml_export_parameters.protein_analysis_export_xml": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.smf1D_params.max_nr_formulae": "500", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.smf1D_params.z": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.smf1D_params.rdb_min": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.smf1D_params.rdb_max": "80", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.smf1D_params.tolerance_ppm": "5", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.smf1D_params.tolerance_abs": "2", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.smf1D_params.tolerance_ppm_MSn": "5", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.smf1D_params.tolerance_abs_MSn": "2", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.smf1D_params.use_rel_tolerance": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.smf1D_params.use_rel_tolerance_MSn": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.smf1D_params.lower_bound_formula": "", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.smf1D_params.upper_bound_formula": "", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.smf1D_params.electron_configuration": "2", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.smf1D_params.electron_configuration_MSn": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.smf1D_params.sigma_limit": "0.02", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.smf1D_params.sigma_limit_MSn": "0.05", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.smf1D_params.HC_Ratio_min": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.smf1D_params.HC_Ratio_max": "3", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.smf1D_params.filtering": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.smf1D_params.patternsearch": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.smf1D_params.validate_formulae": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.smf1D_params.filter_by_elementratio": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.smf1D_params.estimate_carbon_count": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.smf1D_params.relative_threshold_base_peak": "10", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.smf1D_params.delete_previous_results": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.smf1D_params.incl_exclusion_masses": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.smf1D_params.filter_criteriy": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.smf1D_params.adducts_positive_mode": "'M+H' ", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.smf1D_params.adducts_negative_mode": "'M-H' ", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.smf1D_params.collect_adducts": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.smf3D_params.tolerance_neutralloss": "2", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.smf3D_params.intensitythresholdabs2": "100", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.smf3D_params.intensity_threshold_abs_msms": "100", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.smf3D_params.auto_filter": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.smf3D_params.nr_explained_peaks": "5", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.smf3D_params.highlight_unexplained_peaks": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.smf3D_params.processing_window_left": "3", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.smf3D_params.processing_window_right": "5", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.uv_parameters.rt_offset": "3", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.target_screening.delta_rt": "1.5", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.target_screening.threshold_sigma": "0.05", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.target_screening.detection_tolerance": "0.005", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.target_screening.identification_tolerance": "10", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.target_screening.detection_tolerance_ppm": "5", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.target_screening.identification_tolerance_ppm": "5", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.target_screening.use_tolerance_ppm": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.target_screening.compound_database": "C:\\BDALSystemData\\BuildingBlocks\\TargetScreeningDataBase.csv", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.target_screening.use_sampleinfo_xml": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.target_screening.rt_range_start": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.target_screening.rt_range_end": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.target_screening.additional_smoothing": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.target_screening.create_chromatogram_time_slices": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.target_screening.rt_window_halfwidth": "45", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.target_screening.enable_BPC": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.target_screening.evaluate_qualifier_ions": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.target_screening.qualifier_ion_intensity_threshold": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.target_screening.group_id": "':' ", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.target_screening.lc_method_id": ":", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.target_screening.ms_method_id": ":", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.target_screening.matrix_id": ":", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.target_screening.useDB": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.target_screening.sortanalytes": "4", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.automatic_calibration.use_calibration_segment": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.automatic_calibration.automatic_calibration": "0/0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.automatic_calibration.automatic_calibration_use_spectrum_type": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.automatic_calibration.automatic_calibration_retain_data": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.automatic_calibration.automatic_calibration_perform_lockmass": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.target_screening_scoring.threshold1_qualityfactor": "0.02", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.target_screening_scoring.threshold2_qualityfactor": "0.05", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.target_screening_scoring.threshold1_massaccuracy": "3", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.target_screening_scoring.threshold2_massaccuracy": "10", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.target_screening_scoring.threshold1_retentiontime": "20", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.target_screening_scoring.threshold2_retentiontime": "40", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.target_screening_scoring.use_tolerance_ppm": "0", "#.analysis.DataAnalysis.peptide_database_querydata.subtype": "LC-MS Compounds", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.count_fragmentation_type_compounds.cid": "0", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.count_fragmentation_type_compounds.etd": "0", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.count_fragmentation_type_compounds.cidetd": "0", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.count_fragmentation_type_compounds.ptr_etd": "0", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.cmpdnr": "1", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.rt": "4.67117", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.rt_unit": "min", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.title": "Cmpd 1, 4.7 min", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.ms_spectrum.info": "+MS, 4.6-4.7min #554-566", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.ms_spectrum.msmsinfo": "All MS", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.ms_spectrum.polarity": "+", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.ms_spectrum.scanmode": "fullscan", 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"#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.ms_spectrum.ms_peaks.pk.sn (20)": "15.3", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.ms_spectrum.ms_peaks.pk.fwhm (20)": "0.06186", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.ms_spectrum.ms_peaks.pk.mz (21)": "508.20039", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.ms_spectrum.ms_peaks.pk.i (21)": "59", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.ms_spectrum.ms_peaks.pk.sn (21)": "27.1", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.ms_spectrum.ms_peaks.pk.fwhm (21)": "0.06201", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.cmpdnr (1)": "2", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.rt (1)": "5.27233", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.rt_unit (1)": "min", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.title 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"0.03160", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.ms_spectrum.ms_peaks.pk.mz (28)": "234.91678", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.ms_spectrum.ms_peaks.pk.i (28)": "159", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.ms_spectrum.ms_peaks.pk.sn (28)": "156.6", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.ms_spectrum.ms_peaks.pk.fwhm (28)": "0.10099", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.ms_spectrum.ms_peaks.pk.mz (29)": "235.08620", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.ms_spectrum.ms_peaks.pk.i (29)": "53157", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.ms_spectrum.ms_peaks.pk.z (3)": "1+", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.ms_spectrum.ms_peaks.pk.sn (29)": "43442.2", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.ms_spectrum.ms_peaks.pk.fwhm (29)": "0.04205", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.ms_spectrum.ms_peaks.pk.mz (30)": "235.26180", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.ms_spectrum.ms_peaks.pk.i (30)": "810", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.ms_spectrum.ms_peaks.pk.sn (30)": "797.3", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.ms_spectrum.ms_peaks.pk.fwhm (30)": "0.09893", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.ms_spectrum.ms_peaks.pk.mz (31)": "236.27268", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.ms_spectrum.ms_peaks.pk.i (31)": "141", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.ms_spectrum.ms_peaks.pk.sn (31)": "138.6", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.ms_spectrum.ms_peaks.pk.fwhm (31)": "0.08854", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.ms_spectrum.ms_peaks.pk.mz 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diff --git a/test_manager/profile_results/Powder Diffraction/Diffrac Plus/XCH-UXD/PD-01-02(2).UXD.json b/test_manager/profile_results/Powder Diffraction/Diffrac Plus/XCH-UXD/PD-01-02(2).UXD.json
index cc588d27..51f655e6 100644
--- a/test_manager/profile_results/Powder Diffraction/Diffrac Plus/XCH-UXD/PD-01-02(2).UXD.json	
+++ b/test_manager/profile_results/Powder Diffraction/Diffrac Plus/XCH-UXD/PD-01-02(2).UXD.json	
@@ -1 +1 @@
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"metadata": {"file_name": "PD-01-02(2).UXD", "content_type": "", "mime_type": "text/plain", "extension": ".UXD", "reader": "UXDReader", "uploaded": "2024-10-08T11:48:13.507725"}}
\ No newline at end of file
diff --git "a/test_manager/profile_results/Powder Diffraction/Malvern Panalytical/Data Collector-xrdml/LA_P37cd_DUT52Zr-Thermo-XRD-5-90-45min_25\302\260C_1.xrdml.json" "b/test_manager/profile_results/Powder Diffraction/Malvern Panalytical/Data Collector-xrdml/LA_P37cd_DUT52Zr-Thermo-XRD-5-90-45min_25\302\260C_1.xrdml.json"
index ed83f82d..14423171 100644
--- "a/test_manager/profile_results/Powder Diffraction/Malvern Panalytical/Data Collector-xrdml/LA_P37cd_DUT52Zr-Thermo-XRD-5-90-45min_25\302\260C_1.xrdml.json"	
+++ "b/test_manager/profile_results/Powder Diffraction/Malvern Panalytical/Data Collector-xrdml/LA_P37cd_DUT52Zr-Thermo-XRD-5-90-45min_25\302\260C_1.xrdml.json"	
@@ -1 +1 @@
-{"tables": [{"header": ["<xrdMeasurements xmlns=\"http://www.xrdml.com/XRDMeasurement/2.1\" xmlns:xsi=\"http://www.w3.org/2001/XMLSchema-instance\" xsi:schemaLocation=\"http://www.xrdml.com/XRDMeasurement/2.1 http://www.xrdml.com/XRDMeasurement/2.1/XRDMeasurement.xsd\" status=\"Completed\">", "\t<comment>", "\t\t<entry>Configuration=AP HTK 1200N oven with z-axis, Owner=user-1, Creation date=24.06.2019 13:33:55</entry>", "\t\t<entry>Goniometer=Omega/2Theta; Minimum step size 2Theta:0.0001; Minimum step size Omega:0.0001</entry>", "\t\t<entry>Sample stage=AP HTK 1200N oven with z-axis; Minimum step size Z:0.001</entry>", "\t\t<entry>Diffractometer system=EMPYREAN</entry>", "\t\t<entry>Measurement program=E:\\XRD Programs\\Leila\\HTC-1200N\\LAP-12-Thermo-XRD-5-90-45min.xrdmp, Identifier={7919BF4C-DDCA-4EAF-844C-147204A2E96A}</entry>", "\t\t<entry>Batch program=E:\\XRD Programs\\Leila\\HTC-1200N\\LAP-37cd-thermo-XRD-batch-25-400C.xrdmp, Identifier={133F67DC-2F10-424F-8341-D0703B7CEF2A}</entry>", "\t\t<entry>Height control correction model name=AP HTK 1200N Oven (air)</entry>", "\t</comment>", "\t<sample type=\"To be analyzed\">", "\t\t<id></id>", "\t\t<name></name>", "\t\t<preparedBy></preparedBy>", "\t</sample>", "\t<xrdMeasurement measurementType=\"Scan\" status=\"Completed\" sampleMode=\"Reflection\">", "\t\t<comment>", "\t\t\t<entry>PHD Lower Level = 4.02 (keV), PHD Upper Level = 12.88 (keV)</entry>", "\t\t</comment>", "\t\t<usedWavelength intended=\"K-Alpha 1\">", "\t\t\t<kAlpha1 unit=\"Angstrom\">1.5405980</kAlpha1>", "\t\t\t<kAlpha2 unit=\"Angstrom\">1.5444260</kAlpha2>", "\t\t\t<kBeta unit=\"Angstrom\">1.3922500</kBeta>", "\t\t\t<ratioKAlpha2KAlpha1>0.0000</ratioKAlpha2KAlpha1>", "\t\t</usedWavelength>", "\t\t<incidentBeamPath>", "\t\t\t<radius unit=\"mm\">240.00</radius>", "\t\t\t<xRayTube id=\"1010048\" name=\"Empyrean Cu LFF HR (9430 033 7310x) DK422082\">", "\t\t\t\t<tension unit=\"kV\">40.0</tension>", "\t\t\t\t<current unit=\"mA\">40.0</current>", "\t\t\t\t<anodeMaterial>Cu</anodeMaterial>", "\t\t\t\t<focus type=\"Line\">", "\t\t\t\t\t<length unit=\"mm\">12.0</length>", "\t\t\t\t\t<width unit=\"mm\">0.4</width>", "\t\t\t\t\t<takeOffAngle unit=\"deg\">6.0</takeOffAngle>", "\t\t\t\t</focus>", "\t\t\t</xRayTube>", "\t\t\t<monochromator id=\"23010013\" name=\"Inc. beam Johansson 1xGe111 Cu/Co\" hybrid=\"false\">", "\t\t\t\t<crystal type=\"Symmetric\" shape=\"Curved\">Ge</crystal>", "\t\t\t\t<numberOfReflections>1</numberOfReflections>", "\t\t\t\t<hkl>"], "metadata": {"rows": "3", "columns": "1"}, "columns": [{"key": "0", "name": "Column #0"}], "rows": [["1"], ["1"], ["1"]]}, {"header": ["\t\t\t\t</hkl>", "\t\t\t</monochromator>", "\t\t\t<mask id=\"22080003\" name=\"Fixed incident beam mask 15 mm\">", "\t\t\t\t<distanceToSample unit=\"mm\">125.00</distanceToSample>", "\t\t\t\t<width unit=\"mm\">11.60</width>", "\t\t\t</mask>", "\t\t\t<antiScatterSlit id=\"22010002\" name=\"Fixed slit 2\u00b0\" xsi:type=\"fixedAntiScatterSlitType\">", "\t\t\t\t<height unit=\"mm\">3.03</height>", "\t\t\t</antiScatterSlit>", "\t\t\t<divergenceSlit id=\"22010012\" name=\"Programmable divergence slit\" xsi:type=\"automaticDivergenceSlitType\">", "\t\t\t\t<distanceToSample unit=\"mm\">157.00</distanceToSample>", "\t\t\t\t<irradiatedLength unit=\"mm\">10.0</irradiatedLength>", "\t\t\t\t<offset unit=\"mm\">0.00</offset>", "\t\t\t</divergenceSlit>", "\t\t</incidentBeamPath>", "\t\t<diffractedBeamPath>", "\t\t\t<radius unit=\"mm\">240.00</radius>", "\t\t\t<antiScatterSlit id=\"22060009\" name=\"Programmable anti-scatter slit\" xsi:type=\"automaticAntiScatterSlitType\">", "\t\t\t\t<observedLength unit=\"mm\">10.0</observedLength>", "\t\t\t\t<offset unit=\"mm\">0.00</offset>", "\t\t\t</antiScatterSlit>", "\t\t\t<sollerSlit id=\"21020003\" name=\"Large Soller slits 0.04 rad.\">", "\t\t\t\t<opening unit=\"rad\">0.0400</opening>", "\t\t\t</sollerSlit>", "\t\t\t<detector id=\"7010019\" name=\"PIXcel1D-Medipix3 detector\" xsi:type=\"rtmsDetectorType\">", "\t\t\t\t<phd unit=\"%\">", "\t\t\t\t\t<lowerLevel>25.0</lowerLevel>", "\t\t\t\t\t<upperLevel>80.0</upperLevel>", "\t\t\t\t</phd>", "\t\t\t\t<mode>Scanning</mode>", "\t\t\t\t<activeLength unit=\"deg\">3.3482</activeLength>", "\t\t\t</detector>", "\t\t</diffractedBeamPath>", "\t\t<scan appendNumber=\"0\" mode=\"Continuous\" scanAxis=\"Gonio\" status=\"Completed\">", "\t\t\t<header>", "\t\t\t\t<startTimeStamp>2023-03-20T13:19:14+01:00</startTimeStamp>", "\t\t\t\t<endTimeStamp>2023-03-20T14:03:19+01:00</endTimeStamp>", "\t\t\t\t<author>", "\t\t\t\t\t<name>User</name>", "\t\t\t\t</author>", "\t\t\t\t<source>", "\t\t\t\t\t<applicationSoftware version=\"6.1a\">Data Collector</applicationSoftware>", "\t\t\t\t\t<instrumentControlSoftware version=\"8.1  20181218\">EMPYREAN</instrumentControlSoftware>", "\t\t\t\t\t<instrumentID>0000000011226268</instrumentID>", "\t\t\t\t</source>", "\t\t\t</header>", "\t\t\t<dataPoints>", 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\ No newline at end of file
diff --git a/test_manager/profile_results/Sorption/BEL/AIF-txt/cm1c01804_si_003.txt.json b/test_manager/profile_results/Sorption/BEL/AIF-txt/cm1c01804_si_003.txt.json
index 3bd0a41b..c51c013d 100644
--- a/test_manager/profile_results/Sorption/BEL/AIF-txt/cm1c01804_si_003.txt.json
+++ b/test_manager/profile_results/Sorption/BEL/AIF-txt/cm1c01804_si_003.txt.json
@@ -1 +1 @@
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diff --git a/test_manager/profile_results/Sorption/BEL/AIF-txt/cm1c01804_si_003.txt.zip b/test_manager/profile_results/Sorption/BEL/AIF-txt/cm1c01804_si_003.txt.zip
index 3916809a..33dc128e 100644
Binary files a/test_manager/profile_results/Sorption/BEL/AIF-txt/cm1c01804_si_003.txt.zip and b/test_manager/profile_results/Sorption/BEL/AIF-txt/cm1c01804_si_003.txt.zip differ
diff --git a/test_manager/profile_results/Sorption/BEL/AIF-txt/cm1c01804_si_004.txt.json b/test_manager/profile_results/Sorption/BEL/AIF-txt/cm1c01804_si_004.txt.json
index 2f0093cf..7160358b 100644
--- a/test_manager/profile_results/Sorption/BEL/AIF-txt/cm1c01804_si_004.txt.json
+++ b/test_manager/profile_results/Sorption/BEL/AIF-txt/cm1c01804_si_004.txt.json
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index 564c7ea8..f607f036 100644
Binary files a/test_manager/profile_results/Sorption/BEL/AIF-txt/cm1c01804_si_004.txt.zip and b/test_manager/profile_results/Sorption/BEL/AIF-txt/cm1c01804_si_004.txt.zip differ
diff --git a/test_manager/reader_results/EIS/BioLogic/ECLab-mgr/CHD048_CHD050_60C_C05.mgr.json b/test_manager/reader_results/EIS/BioLogic/ECLab-mgr/CHD048_CHD050_60C_C05.mgr.json
deleted file mode 100644
index c98010e2..00000000
--- a/test_manager/reader_results/EIS/BioLogic/ECLab-mgr/CHD048_CHD050_60C_C05.mgr.json
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LineColor=\"16711935\" DrawLines=\"false\" LineStyle=\"0\" LineSize=\"1\" DrawPoints=\"true\" PointsStyle=\"5\" PointsSize=\"2\" PointsTransparency=\"0\" HollowPoints=\"false\" PointsColor=\"16711935\"/>", "          <Trace Num=\"51\" FastDisplay=\"false\" UnderSampling=\"false\" LineColor=\"8421504\" DrawLines=\"false\" LineStyle=\"0\" LineSize=\"1\" DrawPoints=\"true\" PointsStyle=\"5\" PointsSize=\"2\" PointsTransparency=\"0\" HollowPoints=\"false\" PointsColor=\"8421504\"/>", "          <Trace Num=\"52\" FastDisplay=\"false\" UnderSampling=\"false\" LineColor=\"8421376\" DrawLines=\"false\" LineStyle=\"0\" LineSize=\"1\" DrawPoints=\"true\" PointsStyle=\"5\" PointsSize=\"2\" PointsTransparency=\"0\" HollowPoints=\"false\" PointsColor=\"8421376\"/>", "          <Trace Num=\"53\" FastDisplay=\"false\" UnderSampling=\"false\" LineColor=\"8388608\" DrawLines=\"false\" LineStyle=\"0\" LineSize=\"1\" DrawPoints=\"true\" PointsStyle=\"5\" PointsSize=\"2\" PointsTransparency=\"0\" HollowPoints=\"false\" PointsColor=\"8388608\"/>", "          <Trace Num=\"54\" FastDisplay=\"false\" UnderSampling=\"false\" LineColor=\"128\" DrawLines=\"false\" LineStyle=\"0\" LineSize=\"1\" DrawPoints=\"true\" PointsStyle=\"5\" PointsSize=\"2\" PointsTransparency=\"0\" HollowPoints=\"false\" PointsColor=\"128\"/>", "          <Trace Num=\"55\" FastDisplay=\"false\" UnderSampling=\"false\" LineColor=\"16711680\" DrawLines=\"false\" LineStyle=\"0\" LineSize=\"1\" DrawPoints=\"true\" PointsStyle=\"5\" PointsSize=\"2\" PointsTransparency=\"0\" HollowPoints=\"false\" PointsColor=\"16711680\"/>", "          <Trace Num=\"56\" FastDisplay=\"false\" UnderSampling=\"false\" LineColor=\"255\" DrawLines=\"false\" LineStyle=\"0\" LineSize=\"1\" DrawPoints=\"true\" PointsStyle=\"5\" PointsSize=\"2\" PointsTransparency=\"0\" HollowPoints=\"false\" PointsColor=\"255\"/>", "          <Trace Num=\"57\" FastDisplay=\"false\" UnderSampling=\"false\" LineColor=\"32768\" DrawLines=\"false\" LineStyle=\"0\" LineSize=\"1\" DrawPoints=\"true\" PointsStyle=\"5\" PointsSize=\"2\" PointsTransparency=\"0\" HollowPoints=\"false\" PointsColor=\"32768\"/>", "          <Trace Num=\"58\" FastDisplay=\"false\" UnderSampling=\"false\" LineColor=\"8388736\" DrawLines=\"false\" LineStyle=\"0\" LineSize=\"1\" DrawPoints=\"true\" PointsStyle=\"5\" PointsSize=\"2\" PointsTransparency=\"0\" HollowPoints=\"false\" PointsColor=\"8388736\"/>", "          <Trace Num=\"59\" FastDisplay=\"false\" UnderSampling=\"false\" LineColor=\"16711935\" DrawLines=\"false\" LineStyle=\"0\" LineSize=\"1\" DrawPoints=\"true\" PointsStyle=\"5\" PointsSize=\"2\" PointsTransparency=\"0\" HollowPoints=\"false\" PointsColor=\"16711935\"/>", "          <Trace Num=\"60\" FastDisplay=\"false\" UnderSampling=\"false\" LineColor=\"8421504\" DrawLines=\"false\" LineStyle=\"0\" LineSize=\"1\" DrawPoints=\"true\" PointsStyle=\"5\" PointsSize=\"2\" PointsTransparency=\"0\" HollowPoints=\"false\" PointsColor=\"8421504\"/>", " 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PointsStyle=\"5\" PointsSize=\"2\" PointsTransparency=\"0\" HollowPoints=\"false\" PointsColor=\"16711680\"/>", "          <Trace Num=\"65\" FastDisplay=\"false\" UnderSampling=\"false\" LineColor=\"255\" DrawLines=\"false\" LineStyle=\"0\" LineSize=\"1\" DrawPoints=\"true\" PointsStyle=\"5\" PointsSize=\"2\" PointsTransparency=\"0\" HollowPoints=\"false\" PointsColor=\"255\"/>", "          <Trace Num=\"66\" FastDisplay=\"false\" UnderSampling=\"false\" LineColor=\"32768\" DrawLines=\"false\" LineStyle=\"0\" LineSize=\"1\" DrawPoints=\"true\" PointsStyle=\"5\" PointsSize=\"2\" PointsTransparency=\"0\" HollowPoints=\"false\" PointsColor=\"32768\"/>", "          <Trace Num=\"67\" FastDisplay=\"false\" UnderSampling=\"false\" LineColor=\"8388736\" DrawLines=\"false\" LineStyle=\"0\" LineSize=\"1\" DrawPoints=\"true\" PointsStyle=\"5\" PointsSize=\"2\" PointsTransparency=\"0\" HollowPoints=\"false\" PointsColor=\"8388736\"/>", "          <Trace Num=\"68\" FastDisplay=\"false\" UnderSampling=\"false\" LineColor=\"16711935\" DrawLines=\"false\" LineStyle=\"0\" LineSize=\"1\" DrawPoints=\"true\" PointsStyle=\"5\" PointsSize=\"2\" PointsTransparency=\"0\" HollowPoints=\"false\" PointsColor=\"16711935\"/>", "          <Trace Num=\"69\" FastDisplay=\"false\" UnderSampling=\"false\" LineColor=\"8421504\" DrawLines=\"false\" LineStyle=\"0\" LineSize=\"1\" DrawPoints=\"true\" PointsStyle=\"5\" PointsSize=\"2\" PointsTransparency=\"0\" HollowPoints=\"false\" PointsColor=\"8421504\"/>", "          <Trace Num=\"70\" FastDisplay=\"false\" UnderSampling=\"false\" LineColor=\"8421376\" DrawLines=\"false\" LineStyle=\"0\" LineSize=\"1\" DrawPoints=\"true\" PointsStyle=\"5\" PointsSize=\"2\" PointsTransparency=\"0\" HollowPoints=\"false\" PointsColor=\"8421376\"/>", "          <Trace Num=\"71\" FastDisplay=\"false\" UnderSampling=\"false\" LineColor=\"8388608\" DrawLines=\"false\" LineStyle=\"0\" LineSize=\"1\" DrawPoints=\"true\" PointsStyle=\"5\" PointsSize=\"2\" 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DrawLines=\"false\" LineStyle=\"0\" LineSize=\"1\" DrawPoints=\"true\" PointsStyle=\"5\" PointsSize=\"2\" PointsTransparency=\"0\" HollowPoints=\"false\" PointsColor=\"32768\"/>", "          <Trace Num=\"76\" FastDisplay=\"false\" UnderSampling=\"false\" LineColor=\"8388736\" DrawLines=\"false\" LineStyle=\"0\" LineSize=\"1\" DrawPoints=\"true\" PointsStyle=\"5\" PointsSize=\"2\" PointsTransparency=\"0\" HollowPoints=\"false\" PointsColor=\"8388736\"/>", "          <Trace Num=\"77\" FastDisplay=\"false\" UnderSampling=\"false\" LineColor=\"16711935\" DrawLines=\"false\" LineStyle=\"0\" LineSize=\"1\" DrawPoints=\"true\" PointsStyle=\"5\" PointsSize=\"2\" PointsTransparency=\"0\" HollowPoints=\"false\" PointsColor=\"16711935\"/>", "          <Trace Num=\"78\" FastDisplay=\"false\" UnderSampling=\"false\" LineColor=\"8421504\" DrawLines=\"false\" LineStyle=\"0\" LineSize=\"1\" DrawPoints=\"true\" PointsStyle=\"5\" PointsSize=\"2\" PointsTransparency=\"0\" HollowPoints=\"false\" PointsColor=\"8421504\"/>", "          <Trace Num=\"79\" FastDisplay=\"false\" UnderSampling=\"false\" LineColor=\"8421376\" DrawLines=\"false\" LineStyle=\"0\" LineSize=\"1\" DrawPoints=\"true\" PointsStyle=\"5\" PointsSize=\"2\" PointsTransparency=\"0\" HollowPoints=\"false\" PointsColor=\"8421376\"/>", "          <Trace Num=\"80\" FastDisplay=\"false\" UnderSampling=\"false\" LineColor=\"8388608\" DrawLines=\"false\" LineStyle=\"0\" LineSize=\"1\" DrawPoints=\"true\" PointsStyle=\"5\" PointsSize=\"2\" PointsTransparency=\"0\" HollowPoints=\"false\" PointsColor=\"8388608\"/>", "          <Trace Num=\"81\" FastDisplay=\"false\" UnderSampling=\"false\" LineColor=\"128\" DrawLines=\"false\" LineStyle=\"0\" LineSize=\"1\" DrawPoints=\"true\" PointsStyle=\"5\" PointsSize=\"2\" PointsTransparency=\"0\" HollowPoints=\"false\" PointsColor=\"128\"/>", "          <Trace Num=\"82\" FastDisplay=\"false\" UnderSampling=\"false\" LineColor=\"16711680\" DrawLines=\"false\" LineStyle=\"0\" LineSize=\"1\" DrawPoints=\"true\" PointsStyle=\"5\" PointsSize=\"2\" PointsTransparency=\"0\" HollowPoints=\"false\" PointsColor=\"16711680\"/>", "          <Trace Num=\"83\" FastDisplay=\"false\" UnderSampling=\"false\" LineColor=\"255\" DrawLines=\"false\" LineStyle=\"0\" LineSize=\"1\" DrawPoints=\"true\" PointsStyle=\"5\" PointsSize=\"2\" PointsTransparency=\"0\" HollowPoints=\"false\" PointsColor=\"255\"/>", "          <Trace Num=\"84\" FastDisplay=\"false\" UnderSampling=\"false\" LineColor=\"32768\" DrawLines=\"false\" LineStyle=\"0\" LineSize=\"1\" DrawPoints=\"true\" PointsStyle=\"5\" PointsSize=\"2\" PointsTransparency=\"0\" HollowPoints=\"false\" PointsColor=\"32768\"/>", "          <Trace Num=\"85\" FastDisplay=\"false\" UnderSampling=\"false\" LineColor=\"8388736\" DrawLines=\"false\" LineStyle=\"0\" LineSize=\"1\" DrawPoints=\"true\" PointsStyle=\"5\" PointsSize=\"2\" PointsTransparency=\"0\" HollowPoints=\"false\" PointsColor=\"8388736\"/>", "          <Trace Num=\"86\" FastDisplay=\"false\" UnderSampling=\"false\" LineColor=\"16711935\" DrawLines=\"false\" LineStyle=\"0\" LineSize=\"1\" DrawPoints=\"true\" PointsStyle=\"5\" PointsSize=\"2\" PointsTransparency=\"0\" HollowPoints=\"false\" PointsColor=\"16711935\"/>", "          <Trace Num=\"87\" FastDisplay=\"false\" UnderSampling=\"false\" LineColor=\"8421504\" DrawLines=\"false\" LineStyle=\"0\" LineSize=\"1\" DrawPoints=\"true\" PointsStyle=\"5\" PointsSize=\"2\" PointsTransparency=\"0\" HollowPoints=\"false\" PointsColor=\"8421504\"/>", "          <Trace Num=\"88\" FastDisplay=\"false\" UnderSampling=\"false\" LineColor=\"8421376\" DrawLines=\"false\" LineStyle=\"0\" LineSize=\"1\" DrawPoints=\"true\" PointsStyle=\"5\" PointsSize=\"2\" PointsTransparency=\"0\" HollowPoints=\"false\" PointsColor=\"8421376\"/>", "          <Trace Num=\"89\" FastDisplay=\"false\" UnderSampling=\"false\" LineColor=\"8388608\" DrawLines=\"false\" LineStyle=\"0\" LineSize=\"1\" DrawPoints=\"true\" PointsStyle=\"5\" 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LineColor=\"32768\" DrawLines=\"false\" LineStyle=\"0\" LineSize=\"1\" DrawPoints=\"true\" PointsStyle=\"5\" PointsSize=\"2\" PointsTransparency=\"0\" HollowPoints=\"false\" PointsColor=\"32768\"/>", "          <Trace Num=\"94\" FastDisplay=\"false\" UnderSampling=\"false\" LineColor=\"8388736\" DrawLines=\"false\" LineStyle=\"0\" LineSize=\"1\" DrawPoints=\"true\" PointsStyle=\"5\" PointsSize=\"2\" PointsTransparency=\"0\" HollowPoints=\"false\" PointsColor=\"8388736\"/>", "          <Trace Num=\"95\" FastDisplay=\"false\" UnderSampling=\"false\" LineColor=\"16711935\" DrawLines=\"false\" LineStyle=\"0\" LineSize=\"1\" DrawPoints=\"true\" PointsStyle=\"5\" PointsSize=\"2\" PointsTransparency=\"0\" HollowPoints=\"false\" PointsColor=\"16711935\"/>", "          <Trace Num=\"96\" FastDisplay=\"false\" UnderSampling=\"false\" LineColor=\"8421504\" DrawLines=\"false\" LineStyle=\"0\" LineSize=\"1\" DrawPoints=\"true\" PointsStyle=\"5\" PointsSize=\"2\" PointsTransparency=\"0\" 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LineStyle=\"0\" LineSize=\"1\" DrawPoints=\"true\" PointsStyle=\"5\" PointsSize=\"2\" PointsTransparency=\"0\" HollowPoints=\"false\" PointsColor=\"16711680\"/>", "          <Trace Num=\"101\" FastDisplay=\"false\" UnderSampling=\"false\" LineColor=\"255\" DrawLines=\"false\" LineStyle=\"0\" LineSize=\"1\" DrawPoints=\"true\" PointsStyle=\"5\" PointsSize=\"2\" PointsTransparency=\"0\" HollowPoints=\"false\" PointsColor=\"255\"/>", "          <Trace Num=\"102\" FastDisplay=\"false\" UnderSampling=\"false\" LineColor=\"32768\" DrawLines=\"false\" LineStyle=\"0\" LineSize=\"1\" DrawPoints=\"true\" PointsStyle=\"5\" PointsSize=\"2\" PointsTransparency=\"0\" HollowPoints=\"false\" PointsColor=\"32768\"/>", "          <Trace Num=\"103\" FastDisplay=\"false\" UnderSampling=\"false\" LineColor=\"8388736\" DrawLines=\"false\" LineStyle=\"0\" LineSize=\"1\" DrawPoints=\"true\" PointsStyle=\"5\" PointsSize=\"2\" PointsTransparency=\"0\" HollowPoints=\"false\" PointsColor=\"8388736\"/>", "         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UnderSampling=\"false\" LineColor=\"32768\" DrawLines=\"false\" LineStyle=\"0\" LineSize=\"1\" DrawPoints=\"true\" PointsStyle=\"5\" PointsSize=\"2\" PointsTransparency=\"0\" HollowPoints=\"false\" PointsColor=\"32768\"/>", "          <Trace Num=\"112\" FastDisplay=\"false\" UnderSampling=\"false\" LineColor=\"8388736\" DrawLines=\"false\" LineStyle=\"0\" LineSize=\"1\" DrawPoints=\"true\" PointsStyle=\"5\" PointsSize=\"2\" PointsTransparency=\"0\" HollowPoints=\"false\" PointsColor=\"8388736\"/>", "          <Trace Num=\"113\" FastDisplay=\"false\" UnderSampling=\"false\" LineColor=\"16711935\" DrawLines=\"false\" LineStyle=\"0\" LineSize=\"1\" DrawPoints=\"true\" PointsStyle=\"5\" PointsSize=\"2\" PointsTransparency=\"0\" HollowPoints=\"false\" PointsColor=\"16711935\"/>", "          <Trace Num=\"114\" FastDisplay=\"false\" UnderSampling=\"false\" LineColor=\"8421504\" DrawLines=\"false\" LineStyle=\"0\" LineSize=\"1\" DrawPoints=\"true\" PointsStyle=\"5\" PointsSize=\"2\" 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diff --git a/test_manager/reader_results/EIS/BioLogic/ECLab-mgr/CHD048_CHD050_60C_C06.mgr.json b/test_manager/reader_results/EIS/BioLogic/ECLab-mgr/CHD048_CHD050_60C_C06.mgr.json
deleted file mode 100644
index 331803f1..00000000
--- a/test_manager/reader_results/EIS/BioLogic/ECLab-mgr/CHD048_CHD050_60C_C06.mgr.json
+++ /dev/null
@@ -1 +0,0 @@
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diff --git a/test_manager/reader_results/EIS/BioLogic/ECLab-mgr/CHD048_CHD050_60C_C07.mgr.json b/test_manager/reader_results/EIS/BioLogic/ECLab-mgr/CHD048_CHD050_60C_C07.mgr.json
deleted file mode 100644
index aefa23a2..00000000
--- a/test_manager/reader_results/EIS/BioLogic/ECLab-mgr/CHD048_CHD050_60C_C07.mgr.json
+++ /dev/null
@@ -1 +0,0 @@
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\ No newline at end of file
diff --git a/test_manager/reader_results/LC/microTOFLC-Bruker/CompassDataAnalysis-xml/HZ_BA_1ba_5yl.xml.json b/test_manager/reader_results/LC/microTOFLC-Bruker/CompassDataAnalysis-xml/HZ_BA_1ba_5yl.xml.json
index bc49cdc5..06798b1d 100644
--- a/test_manager/reader_results/LC/microTOFLC-Bruker/CompassDataAnalysis-xml/HZ_BA_1ba_5yl.xml.json
+++ b/test_manager/reader_results/LC/microTOFLC-Bruker/CompassDataAnalysis-xml/HZ_BA_1ba_5yl.xml.json
@@ -1 +1 @@
-{"tables": [{"header": ["<root><fileinfo appname=\"Bruker Compass DataAnalysis\" appversion=\"4.2.395.0\" date=\"2023-06-07T11:29:43\" type=\"DataAnalysis Results\" typeversion=\"1.1\" subtype=\"Analysis Data\" creator=\"MRT\"/><generalinfo organisation=\"Bruker Customer\" user=\"User\" hostname=\"TOF-PC\" os=\"Windows 7\"/><analysis name=\"D:\\Data\\2023\\HZ_BA_1ba_BA2_01_4624.d\\analysis.baf\"><info><DateTime>2023-04-27T08:29:14+02:00</DateTime><method>tune low pos.m</method><sample>HZ_BA_1ba</sample><comment></comment><operator>MRT</operator><instrument>micrOTOF</instrument><instrument_serial_number>213750.00145</instrument_serial_number></info><DataAnalysis version=\"DataAnalysis 4.2.395.0\" DataAnalysisResults=\"\"><DataAnalysis_processing_parameters><find_compounds_chromatogram detect_version=\"3\" detect_areamode=\"1\" detect_areathresholdabs=\"0\" detect_areathresholdrel=\"0\" detect_intensitymode=\"1\" detect_intensitythresholdabs=\"3000\" detect_intensitythresholdrel=\"3\" detect_sensitivity=\"0.333333\" detect_skimratio=\"0\" detect_smoothingwidth=\"3\" detect_averageno=\"5\" detect_averagemode=\"0\" add_uv_or_ms_spectra=\"1\" spectrum_load_mode=\"2\" background_subtraction_mode=\"2\" MS_peaksensmode2=\"1\" MS_pc12=\"0.4\" MS_pc22=\"4\" MS_peaksens12=\"99\" MS_peaksens22=\"99\" MS_areamode2=\"2\" MS_areathresholdabs2=\"1000\" MS_areathresholdrel2=\"10\" MS_intensitymode2=\"0\" MS_intensitythresholdabs2=\"1000\" MS_intensitythresholdrel2=\"10\" MS_basesmoothmode2=\"1\" MS_basesmoothpts2=\"8\" MS_basesmoothmin2=\"12\" MS_basesmoothforce2=\"0.1\" MS_startendslope2=\"10\" MS_valleyfilterused2=\"1\" MS_valleyfilter2=\"10\" MS_noisecorr2=\"0\" UV_peaksensmode2=\"1\" UV_pc12=\"0.4\" UV_pc22=\"4\" UV_peaksens12=\"99.9\" UV_peaksens22=\"100\" UV_areamode2=\"0\" UV_areathresholdabs2=\"10\" UV_areathresholdrel2=\"1\" UV_intensitymode2=\"1\" UV_intensitythresholdabs2=\"1\" UV_intensitythresholdrel2=\"0.01\" UV_basesmoothmode2=\"1\" UV_basesmoothpts2=\"8\" UV_basesmoothmin2=\"12\" UV_basesmoothforce2=\"0.9\" UV_startendslope2=\"10\" UV_valleyfilterused2=\"0\" UV_valleyfilter2=\"10\" UV_noisecorr2=\"0\" detect_delcmpdsinrng=\"1\"/><auto_ms_n use_retention_time_window=\"0\" retention_time_window=\"1\" rt_unit=\"min\" minimum_intensity_positive=\"1000\" minimum_intensity_negative=\"1000\" create_max_number_compounds=\"100000\" spectrum_load_mode=\"0\" background_type=\"0\" create_auto_ms_n_traces=\"0\" create_detailed_traces=\"0\" merge_positive_negative_compounds=\"0\" detect_delcmpdsinrng=\"1\" detect_keep_cmpds_detectedneutralloss=\"0\" add_uv_spectra=\"1\" advanced_precursor_determination=\"0\"/><dissect_params dissect_addsmoothing=\"0\" dissect_allow_wider_peaks=\"0\" dissect_resolving_power=\"1\" dissect_set_expected_width=\"0\" dissect_expected_width=\"3\" dissect_deletepeaksinrange=\"1\" dissect_fullrange=\"1\" dissect_cutoff=\"0.1\" dissect_sensitivity=\"3\" dissect_maxoverlap=\"5\" dissect_smoothwidth=\"1\" spectrum_load_mode=\"0\" add_uv_spectra=\"1\"/><find_all_compounds min_time_points=\"20\" min_correlation=\"0.7\" background_type=\"0\" load_spec_type=\"2\" additional_smoothing=\"1\" proteomics=\"1\" chrom_sn_threshold=\"3\" chrom_smoothingwidth=\"10\" detect_delcmpdsinrng=\"1\" add_MSMS_spectra=\"1\" adducts_positive_mode=\"\" adducts_negative_mode=\"\"/><ms_peak_finder ms_peak_finder_type=\"3\" ms_manually_use_peak_finder=\"1\"><ms_peak_finder_apex minimum_intensity=\"100\" peak_width=\"0.05\" peak_width_msms=\"0.05\" relative_threshold_base_peak=\"0.1\" signal_to_noise=\"10\"/><ms_peak_finder_centroid peak_width=\"1\" peak_width_msms=\"1\" signal_to_noise=\"1\" relative_threshold_base_peak=\"2\" minimum_intensity=\"100\" centroid_percentage=\"80\"/><ms_peak_finder_snap minimum_intensity=\"0\" relative_threshold_base_peak=\"0\" signal_to_noise=\"2\" maximum_charge=\"12\" quality_factor_threshold=\"0.9\" number_of_patterns=\"500000\" building_block_1=\"C 4.9384 N 1.3577 O 1.4773 S 0.0417 H 7.7583\" building_block_2=\"\" use_snap_2=\"1\" add_detailed_results=\"0\"/><ms_peak_finder_sumpeak minimum_intensity=\"100\" peak_width=\"5\" use_datapoints=\"1\" sum_width=\"5\" relative_threshold_base_peak=\"0.1\" signal_to_noise=\"1\" baseline_type=\"1\" baseline_flatness=\"1\" same_sumwidth_as_acquisition=\"1\" use_resolution=\"0\" res=\"10000\" instrument_sum_width=\"5\"/><ms_peak_finder_ftms signal_to_noise=\"4\" relative_threshold_base_peak=\"0.01\" minimum_intensity=\"100\" centroid_percentage=\"80\" use_centroid=\"0\"/><ms_peak_finder_line_spectra apply_line_spectra_threshold=\"0\" line_spectra_threshold=\"10\"/></ms_peak_finder><deconvolution clear_prev_results=\"1\" create_neutral_spectrum=\"0\" incl_shifted_spectra=\"0\" ret_residuals=\"0\" incl_comp_details=\"0\" show_comp_details=\"0\" substance_class=\"1\" extend_evelope=\"0\" extend_before=\"1\" extend_after=\"1\" set_precursor_mono_isotopic=\"1\" auto_apply=\"0\"><deconvolution_detailed perf_deconv=\"1\" rel_isotop_deconv=\"0\" resolve_isotop=\"1\" exclude_reporter_ions=\"0\" reporter_ions=\"0\" proteomics=\"1\" abund_cutoff=\"2\" envelope_cutoff=\"75\" high_mass=\"4000\" low_mass=\"250\" mw_agreement=\"0\" maximum_charge=\"10\" max_charge_isotop=\"5\" min_charge=\"1\" min_peaks=\"3\" precursor_deconv=\"0\" max_components=\"10\" adduct_ion_name=\"+H\" adduct_ion_mass=\"1.00728\" apply_min_max_mass_boundaries=\"0\"/><deconvolution_detailed perf_deconv=\"1\" rel_isotop_deconv=\"0\" resolve_isotop=\"1\" exclude_reporter_ions=\"0\" reporter_ions=\"0\" proteomics=\"1\" abund_cutoff=\"2\" envelope_cutoff=\"75\" high_mass=\"4000\" low_mass=\"250\" mw_agreement=\"5\" maximum_charge=\"3\" max_charge_isotop=\"5\" min_charge=\"1\" min_peaks=\"3\" precursor_deconv=\"0\" max_components=\"10\" adduct_ion_name=\"+H\" adduct_ion_mass=\"1.00728\" apply_min_max_mass_boundaries=\"0\"/><deconvolution_detailed perf_deconv=\"1\" rel_isotop_deconv=\"0\" resolve_isotop=\"1\" exclude_reporter_ions=\"1\" reporter_ions=\"0\" proteomics=\"1\" abund_cutoff=\"0.5\" envelope_cutoff=\"75\" high_mass=\"2000\" low_mass=\"50\" mw_agreement=\"5\" maximum_charge=\"3\" max_charge_isotop=\"4\" min_charge=\"1\" min_peaks=\"3\" precursor_deconv=\"0\" max_components=\"10\" adduct_ion_name=\"+H\" adduct_ion_mass=\"1.00728\" apply_min_max_mass_boundaries=\"0\"/><deconvolution_detailed perf_deconv=\"1\" rel_isotop_deconv=\"1\" resolve_isotop=\"0\" exclude_reporter_ions=\"0\" reporter_ions=\"0\" proteomics=\"1\" abund_cutoff=\"10\" envelope_cutoff=\"75\" high_mass=\"100000\" low_mass=\"5000\" mw_agreement=\"5\" maximum_charge=\"100\" max_charge_isotop=\"0\" min_charge=\"1\" min_peaks=\"3\" precursor_deconv=\"0\" max_components=\"10\" adduct_ion_name=\"+H\" adduct_ion_mass=\"1.00728\" apply_min_max_mass_boundaries=\"1\"/><max_entropy_deconvolution adduct_ion_name=\"-H\" adduct_ion_mass=\"-1.00783\" low_mass=\"5000\" high_mass=\"100000\" spacint_out=\"0\" resolving_power=\"10000\" peak_width=\"0.3\" width=\"1\" maxentx=\"0\"/></deconvolution><mascot_export globalchargelimit_apply=\"1\" globalchargelimit=\"1+, 2+ and 3+\" prefer_fullscan_deconvolution_results=\"1\" deconvolution_export_type=\"2\" msmssignals=\"50\" threshold=\"100\" mssignals_deconv=\"2\" mssignals_non_deconv=\"20\" normalize_msms=\"0\" single_charged=\"0\"/><process_parameters baseline_flatness=\"0.8\" baseline_addchild=\"1\" baseline_disableoriginal=\"0\" baseline_usesamecolor=\"1\" smoothing_algorithm=\"1\" smoothing_width=\"0.2\" smoothing_cycles=\"1\" smoothing_addchild=\"1\" smoothing_disableoriginal=\"0\" smoothing_usesamecolor=\"1\"/><process_parameters baseline_flatness=\"0.8\" baseline_addchild=\"1\" baseline_disableoriginal=\"0\" baseline_usesamecolor=\"1\" smoothing_algorithm=\"1\" smoothing_width=\"0.2\" smoothing_cycles=\"1\" smoothing_addchild=\"1\" smoothing_disableoriginal=\"0\" smoothing_usesamecolor=\"1\"/><display_params mass_precision=\"4\" time_precision=\"1\" structure_size=\"30\" chrom_peak_label=\"Compound name (vertical)\"/><calibration_params calibration_range=\"0.05\" calibration_listname=\"Na Formate (pos)\" calibration_listgroupname=\"ESI\" calibration_fit_mode=\"2\" calibration_intensitythreshold=\"1000\"/><calibration_lockmass_params calibration_range=\"0.05\" calibration_listname=\"Lockmass 1222\" calibration_listgroupname=\"ESI\" calibration_intensitythreshold=\"1000\" calibration_lockmassmode=\"0\"/><library_search_params del_prev_res=\"1\"><library_search_basic_params accept_score=\"50\" allowmasses_above=\"0\" allowmasses_below=\"0\" desired_score=\"900\" increasedepth=\"0\" maxnr_spectra=\"10\" match_all=\"0\" sort_by=\"1\" include_precursor_spectra=\"1\" include_uv_spectra=\"0\" exclude_precursor_signals=\"0\" skip_low_frgamnet_spectra=\"1\" min_effective_score=\"500\" minmatch_score=\"250\" min_score=\"400\"/><library_search_advanced_params add_int_range=\"5\" extended=\"1\" locnorm=\"0\" root=\"0\" hwfstp=\"50\" hwscdp=\"7\" intrangefac=\"1.9\" locnormeqfac=\"1\" locnormfac=\"2\" locnormwin=\"25\" masdisint=\"20\" minsrcint=\"100\" minspepresrc=\"15\" threshfstp=\"40\" maskadducts=\"0\" maskprecursor=\"0\"/><library_search_libraries_params add_unid=\"0\" srcparallel=\"0\" libraries=\"'D:\\Data\\Libraries\\AminoAcids_OPA.mlb\\AminoAcids_OPA.mlb' \" librariey_unidentified=\"\"/><library_search_match_params chrgdeconv=\"0\" collenerg=\"0\" fragampl=\"1\" instrtp=\"2\" ionmeth=\"1\" isolwidth=\"0\" msmsstg=\"2\" ms_vs_msms=\"4\" pkwidth=\"0\" polarity=\"4\" psd=\"0\" precion=\"0\" prodion=\"0\" rgtgaspress=\"0\" rgtion=\"0\" refl=\"0\" trgtgas=\"0\" trgtgaspress=\"0\" trapdrv=\"1\"/><library_search_add_params add_confirm_mode=\"0\"/><library_search_rt_params accepted_deviation=\"1\" apply_rt_match=\"0\" match_columnname=\"1\" max_deviation=\"5\" apply_precursor_match=\"0\" use_precursor_ppm=\"0\" precursor_ppm=\"10\" precursor_mda=\"100\" apply_accuracy=\"0\" use_accuracy_ppm=\"0\" accuracy_ppm=\"20\" accuracy_mda=\"200\"/></library_search_params><masslist_layout layout_columntypes=\"1 2 6 5 3 11 4 \" layout_columnwidth=\"23 32 37 32 19 32 46 \"/><cmpdlist_layout layout_columntypes=\"14 20 1 23 12 26 31 6 52 \" layout_columnwidth=\"23 55 38 60 19 32 86 59 73 \"/><molecular_formula_layout layout_columntypes=\"24 1 2 3 5 18 12 40 7 9 8 \" layout_columnwidth=\"-1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 \"/><general_unknown_layout layout_columntypes=\"6 0 5 3 4 2 12 14 10 11 \" layout_columnwidth=\"-1 -1 -1 -1 -1 -1 -1 -1 -1 -1 \"/><target_screening_layout layout_columntypes=\"15 14 6 5 43 11 1 2 17 7 8 9 10 4 3 39 40 41 42 16 18 19 25 20 21 22 23 24 31 26 27 28 29 30 37 32 33 34 35 36 \" layout_columnwidth=\"-1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 \"/><exclusion_masses/><xml_export_parameters export_detailed_information=\"0\" export_peptide_database_query_information=\"1\" export_full_peptide_database_query_information=\"1\" protein_analysis_export_mgf=\"1\" protein_analysis_export_xml=\"1\"/><smf1D_params max_nr_formulae=\"500\" z=\"1\" rdb_min=\"0\" rdb_max=\"80\" tolerance_ppm=\"5\" tolerance_abs=\"2\" tolerance_ppm_MSn=\"5\" tolerance_abs_MSn=\"2\" use_rel_tolerance=\"1\" use_rel_tolerance_MSn=\"0\" lower_bound_formula=\"\" upper_bound_formula=\"\" electron_configuration=\"2\" electron_configuration_MSn=\"0\" sigma_limit=\"0.02\" sigma_limit_MSn=\"0.05\" HC_Ratio_min=\"0\" HC_Ratio_max=\"3\" filtering=\"1\" patternsearch=\"0\" validate_formulae=\"1\" filter_by_elementratio=\"1\" estimate_carbon_count=\"1\" relative_threshold_base_peak=\"10\" delete_previous_results=\"1\" incl_exclusion_masses=\"0\" filter_criteriy=\"0\" adducts_positive_mode=\"'M+H' \" adducts_negative_mode=\"'M-H' \" collect_adducts=\"0\"/><smf3D_params tolerance_neutralloss=\"2\" intensitythresholdabs2=\"100\" intensity_threshold_abs_msms=\"100\" auto_filter=\"0\" nr_explained_peaks=\"5\" highlight_unexplained_peaks=\"0\" processing_window_left=\"3\" processing_window_right=\"5\"/><uv_parameters rt_offset=\"3\"/><target_screening delta_rt=\"1.5\" threshold_sigma=\"0.05\" detection_tolerance=\"0.005\" identification_tolerance=\"10\" detection_tolerance_ppm=\"5\" identification_tolerance_ppm=\"5\" use_tolerance_ppm=\"0\" compound_database=\"C:\\BDALSystemData\\BuildingBlocks\\TargetScreeningDataBase.csv\" use_sampleinfo_xml=\"0\" rt_range_start=\"0\" rt_range_end=\"0\" additional_smoothing=\"0\" create_chromatogram_time_slices=\"1\" rt_window_halfwidth=\"45\" enable_BPC=\"1\" evaluate_qualifier_ions=\"1\" qualifier_ion_intensity_threshold=\"0\" group_id=\"':' \" lc_method_id=\":\" ms_method_id=\":\" matrix_id=\":\" useDB=\"0\" sortanalytes=\"4\"/><automatic_calibration use_calibration_segment=\"0\" automatic_calibration=\"0/0\" automatic_calibration_use_spectrum_type=\"0\" automatic_calibration_retain_data=\"0\" automatic_calibration_perform_lockmass=\"0\"/><target_screening_scoring threshold1_qualityfactor=\"0.02\" threshold2_qualityfactor=\"0.05\" threshold1_massaccuracy=\"3\" threshold2_massaccuracy=\"10\" threshold1_retentiontime=\"20\" threshold2_retentiontime=\"40\" use_tolerance_ppm=\"0\"/></DataAnalysis_processing_parameters><peptide_database_querydata subtype=\"LC-MS Compounds\"><compounds><count_fragmentation_type_compounds cid=\"0\" etd=\"0\" cidetd=\"0\" ptr_etd=\"0\"/><cmpd cmpdnr=\"1\" rt=\"4.67117\" rt_unit=\"min\"><title>Cmpd 1, 4.7 min</title><ms_spectrum info=\"+MS, 4.6-4.7min #554-566\" msmsinfo=\"All MS\" polarity=\"+\" scanmode=\"fullscan\" seq_nr_start=\"554\" seq_nr_end=\"566\" spec_index=\"0\" spec_nrs=\"554/555/556/557/558/559/560/561/562/563/564/565/566\" rt=\"4.68022\" rt_unit=\"min\"><ms_peaks><pk mz=\"120.04212\" i=\"213\" sn=\"97.8\" fwhm=\"0.02268\"/><pk mz=\"142.02417\" i=\"90\" sn=\"41.5\" fwhm=\"0.02464\"/><pk mz=\"148.03760\" i=\"154\" sn=\"70.4\" fwhm=\"0.02726\"/><pk mz=\"154.04345\" i=\"32\" sn=\"14.7\" fwhm=\"0.02922\"/><pk mz=\"170.02321\" i=\"315\" sn=\"144.1\" fwhm=\"0.02863\"/><pk mz=\"173.07742\" i=\"25\" sn=\"11.5\" fwhm=\"0.02867\"/><pk mz=\"188.06588\" i=\"105\" sn=\"48.0\" fwhm=\"0.02972\"/><pk mz=\"229.05584\" i=\"12\" sn=\"5.4\" fwhm=\"0.03718\"/><pk mz=\"230.05814\" i=\"48\" sn=\"22.1\" fwhm=\"0.03482\"/><pk mz=\"267.07894\" i=\"12\" sn=\"5.6\" fwhm=\"0.04042\"/><pk mz=\"276.11343\" i=\"59\" sn=\"26.9\" fwhm=\"0.04555\"/><pk mz=\"288.28703\" i=\"48\" sn=\"22.1\" fwhm=\"0.03964\"/><pk mz=\"289.05781\" i=\"3102\" z=\"1+\" sn=\"1190.6\" fwhm=\"0.04189\"/><pk mz=\"289.27197\" i=\"81\" sn=\"37.3\" fwhm=\"0.08153\"/><pk mz=\"305.03509\" i=\"101\" sn=\"46.1\" fwhm=\"0.04278\"/><pk mz=\"317.05303\" i=\"251\" z=\"1+\" sn=\"96.2\" fwhm=\"0.04596\"/><pk mz=\"393.29531\" i=\"15\" sn=\"6.9\" fwhm=\"0.05523\"/><pk mz=\"394.29891\" i=\"56\" sn=\"25.8\" fwhm=\"0.05482\"/><pk mz=\"413.26487\" i=\"45\" sn=\"20.7\" fwhm=\"0.05447\"/><pk mz=\"434.17560\" i=\"82\" sn=\"37.4\" fwhm=\"0.05910\"/><pk mz=\"475.19158\" i=\"33\" sn=\"15.3\" fwhm=\"0.06186\"/><pk mz=\"508.20039\" i=\"59\" sn=\"27.1\" fwhm=\"0.06201\"/></ms_peaks><annotation_list/></ms_spectrum></cmpd><cmpd cmpdnr=\"2\" rt=\"5.27233\" rt_unit=\"min\"><title>Cmpd 2, 5.3 min</title><ms_spectrum info=\"+MS, 5.2-5.4min #622-643\" msmsinfo=\"All MS\" polarity=\"+\" scanmode=\"fullscan\" seq_nr_start=\"622\" seq_nr_end=\"643\" spec_index=\"0\" spec_nrs=\"622/623/624/625/626/627/628/629/630/631/632/633/634/635/636/637/638/639/640/641/642/643\" rt=\"5.28498\" rt_unit=\"min\"><ms_peaks><pk mz=\"119.05833\" i=\"721\" sn=\"710.3\" fwhm=\"0.02295\"/><pk mz=\"120.05119\" i=\"139\" sn=\"136.8\" fwhm=\"0.03648\"/><pk mz=\"205.04071\" i=\"164\" sn=\"161.9\" fwhm=\"0.03213\"/><pk mz=\"206.04936\" i=\"18180\" z=\"1+\" sn=\"10066.6\" fwhm=\"0.03392\"/><pk mz=\"206.21681\" i=\"257\" sn=\"253.6\" fwhm=\"0.08455\"/><pk mz=\"222.02111\" i=\"125\" sn=\"123.0\" fwhm=\"0.03160\"/><pk mz=\"234.91678\" i=\"159\" sn=\"156.6\" fwhm=\"0.10099\"/><pk mz=\"235.08620\" i=\"53157\" z=\"1+\" sn=\"43442.2\" fwhm=\"0.04205\"/><pk mz=\"235.26180\" i=\"810\" sn=\"797.3\" fwhm=\"0.09893\"/><pk mz=\"236.27268\" i=\"141\" sn=\"138.6\" fwhm=\"0.08854\"/><pk mz=\"250.05077\" i=\"263\" sn=\"259.1\" fwhm=\"0.04100\"/><pk mz=\"257.07216\" i=\"302\" sn=\"297.4\" fwhm=\"0.04266\"/><pk mz=\"263.08168\" i=\"594\" sn=\"584.9\" fwhm=\"0.03928\"/><pk mz=\"276.10898\" i=\"141\" sn=\"138.8\" fwhm=\"0.04076\"/><pk mz=\"277.09738\" i=\"261\" sn=\"257.3\" fwhm=\"0.04206\"/><pk mz=\"285.06408\" i=\"537\" sn=\"528.7\" fwhm=\"0.04227\"/><pk mz=\"299.07740\" i=\"368\" sn=\"362.4\" fwhm=\"0.04180\"/><pk mz=\"307.09655\" i=\"130\" sn=\"128.3\" fwhm=\"0.04351\"/><pk mz=\"370.04359\" i=\"128\" sn=\"125.7\" fwhm=\"0.05031\"/><pk mz=\"439.12156\" i=\"199\" sn=\"195.5\" fwhm=\"0.05248\"/><pk mz=\"467.15232\" i=\"389\" sn=\"383.0\" fwhm=\"0.05767\"/><pk mz=\"485.17025\" i=\"135\" sn=\"132.8\" fwhm=\"0.06721\"/></ms_peaks><annotation_list/></ms_spectrum></cmpd><cmpd cmpdnr=\"3\" rt=\"5.67933\" rt_unit=\"min\"><title>Cmpd 3, 5.7 min</title><ms_spectrum info=\"+MS, 5.6-5.8min #675-689\" msmsinfo=\"All MS\" polarity=\"+\" scanmode=\"fullscan\" seq_nr_start=\"675\" seq_nr_end=\"689\" spec_index=\"0\" spec_nrs=\"675/676/677/678/679/680/681/682/683/684/685/686/687/688/689\" rt=\"5.69791\" rt_unit=\"min\"><ms_peaks><pk mz=\"120.04250\" i=\"614\" sn=\"141.4\" fwhm=\"0.02323\"/><pk mz=\"121.04508\" i=\"91\" sn=\"20.9\" fwhm=\"0.02164\"/><pk mz=\"173.07715\" i=\"452\" sn=\"104.1\" fwhm=\"0.02859\"/><pk mz=\"229.05493\" i=\"98\" sn=\"22.7\" fwhm=\"0.03441\"/><pk mz=\"245.06968\" i=\"117\" sn=\"27.0\" fwhm=\"0.03634\"/><pk mz=\"304.10538\" i=\"247\" sn=\"56.9\" fwhm=\"0.04345\"/><pk mz=\"308.09958\" i=\"95\" sn=\"21.8\" fwhm=\"0.05661\"/><pk mz=\"322.11521\" i=\"81\" sn=\"18.7\" fwhm=\"0.04439\"/><pk mz=\"330.08959\" i=\"109\" sn=\"25.2\" fwhm=\"0.04905\"/><pk mz=\"341.10108\" i=\"142\" sn=\"32.6\" fwhm=\"0.04346\"/><pk mz=\"422.82999\" i=\"107\" sn=\"24.7\" fwhm=\"0.12803\"/><pk mz=\"423.14244\" i=\"49953\" z=\"1+\" sn=\"8433.7\" fwhm=\"0.05615\"/><pk mz=\"445.12557\" i=\"653\" sn=\"150.5\" fwhm=\"0.05965\"/><pk mz=\"446.12903\" i=\"153\" sn=\"35.3\" fwhm=\"0.05975\"/><pk mz=\"447.12037\" i=\"96\" sn=\"22.2\" fwhm=\"0.06581\"/><pk mz=\"451.13557\" i=\"137\" sn=\"31.5\" fwhm=\"0.06847\"/><pk mz=\"453.13084\" i=\"163\" sn=\"37.4\" fwhm=\"0.06658\"/><pk mz=\"454.13051\" i=\"107\" sn=\"24.6\" fwhm=\"0.05372\"/><pk mz=\"461.09558\" i=\"84\" sn=\"19.3\" fwhm=\"0.05821\"/><pk mz=\"465.15394\" i=\"80\" sn=\"18.3\" fwhm=\"0.06364\"/><pk mz=\"667.19398\" i=\"113\" sn=\"26.0\" fwhm=\"0.07450\"/></ms_peaks><annotation_list/></ms_spectrum></cmpd><cmpd cmpdnr=\"4\" rt=\"7.152\" rt_unit=\"min\"><title>Cmpd 4, 7.2 min</title><ms_spectrum info=\"+MS, 7.1-7.2min #852-867\" msmsinfo=\"All MS\" polarity=\"+\" scanmode=\"fullscan\" seq_nr_start=\"852\" seq_nr_end=\"867\" spec_index=\"0\" spec_nrs=\"852/853/854/855/856/857/858/859/860/861/862/863/864/865/866/867\" rt=\"7.17854\" rt_unit=\"min\"><ms_peaks><pk mz=\"173.07673\" i=\"225\" sn=\"37.8\" fwhm=\"0.02979\"/><pk mz=\"218.06194\" i=\"8\" sn=\"1.4\" fwhm=\"0.03237\"/><pk mz=\"235.08557\" i=\"30\" sn=\"5.0\" fwhm=\"0.03455\"/><pk mz=\"304.10535\" i=\"25\" sn=\"4.2\" fwhm=\"0.04174\"/><pk mz=\"306.11713\" i=\"13\" sn=\"2.2\" fwhm=\"0.04269\"/><pk mz=\"366.08582\" i=\"588\" z=\"1+\" sn=\"77.4\" fwhm=\"0.04947\"/><pk mz=\"382.06451\" i=\"6\" sn=\"1.0\" fwhm=\"0.04826\"/><pk mz=\"394.29415\" i=\"9\" sn=\"1.4\" fwhm=\"0.04261\"/><pk mz=\"425.07219\" i=\"91\" sn=\"15.2\" fwhm=\"0.05728\"/><pk mz=\"427.24165\" i=\"18\" sn=\"3.0\" fwhm=\"0.06049\"/><pk mz=\"429.25847\" i=\"247\" sn=\"41.6\" fwhm=\"0.05702\"/><pk mz=\"430.25957\" i=\"11\" sn=\"1.9\" fwhm=\"0.05132\"/><pk mz=\"465.38206\" i=\"17\" sn=\"2.9\" fwhm=\"0.05661\"/><pk mz=\"471.11261\" i=\"106\" sn=\"17.9\" fwhm=\"0.05756\"/><pk mz=\"472.10919\" i=\"15\" sn=\"2.6\" fwhm=\"0.04643\"/><pk mz=\"482.13689\" i=\"132\" sn=\"22.3\" fwhm=\"0.05927\"/><pk mz=\"509.10649\" i=\"101\" sn=\"17.0\" fwhm=\"0.06401\"/><pk mz=\"513.12250\" i=\"4863\" z=\"1+\" sn=\"541.2\" fwhm=\"0.06578\"/><pk mz=\"529.12245\" i=\"91\" sn=\"15.3\" fwhm=\"0.06506\"/><pk mz=\"537.10631\" i=\"145\" sn=\"24.4\" fwhm=\"0.06130\"/><pk mz=\"551.08168\" i=\"8\" sn=\"1.3\" fwhm=\"0.09394\"/></ms_peaks><annotation_list/></ms_spectrum></cmpd></compounds></peptide_database_querydata></DataAnalysis></analysis><checksums><DataAnalysis_checksum>ebf425481a45c665073c261c1eb5544c</DataAnalysis_checksum></checksums></root>"], "metadata": {"rows": "0", "columns": "0"}, "columns": [], "rows": []}], "metadata": {"file_name": "HZ_BA_1ba_5yl.xml", "content_type": "", "mime_type": "text/plain", "extension": ".xml", "reader": "CSVReader", "uploaded": "2024-07-15T10:22:15.862360", "lineterminator": "\\r\\n", "quoting": "0", "doublequote": "True", "delimiter": "comma", "quotechar": "\"", "skipinitialspace": "True"}}
\ No newline at end of file
+{"tables": [{"header": [], "metadata": {"#.fileinfo.appname": "Bruker Compass DataAnalysis", "#.fileinfo.appversion": "4.2.395.0", "#.fileinfo.date": "2023-06-07T11:29:43", "#.fileinfo.type": "DataAnalysis Results", "#.fileinfo.typeversion": "1.1", "#.fileinfo.subtype": "Analysis Data", "#.fileinfo.creator": "MRT", "#.generalinfo.organisation": "Bruker Customer", "#.generalinfo.user": "User", "#.generalinfo.hostname": "TOF-PC", "#.generalinfo.os": "Windows 7", "#.analysis.name": "D:\\Data\\2023\\HZ_BA_1ba_BA2_01_4624.d\\analysis.baf", "#.analysis.info.DateTime": "2023-04-27T08:29:14+02:00", "#.analysis.info.method": "tune low pos.m", "#.analysis.info.sample": "HZ_BA_1ba", "#.analysis.info.operator": "MRT", "#.analysis.info.instrument": "micrOTOF", "#.analysis.info.instrument_serial_number": "213750.00145", "#.analysis.DataAnalysis.version": "DataAnalysis 4.2.395.0", "#.analysis.DataAnalysis.DataAnalysisResults": "", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_compounds_chromatogram.detect_version": "3", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_compounds_chromatogram.detect_areamode": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_compounds_chromatogram.detect_areathresholdabs": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_compounds_chromatogram.detect_areathresholdrel": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_compounds_chromatogram.detect_intensitymode": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_compounds_chromatogram.detect_intensitythresholdabs": "3000", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_compounds_chromatogram.detect_intensitythresholdrel": "3", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_compounds_chromatogram.detect_sensitivity": "0.333333", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_compounds_chromatogram.detect_skimratio": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_compounds_chromatogram.detect_smoothingwidth": "3", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_compounds_chromatogram.detect_averageno": "5", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_compounds_chromatogram.detect_averagemode": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_compounds_chromatogram.add_uv_or_ms_spectra": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_compounds_chromatogram.spectrum_load_mode": "2", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_compounds_chromatogram.background_subtraction_mode": "2", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_compounds_chromatogram.MS_peaksensmode2": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_compounds_chromatogram.MS_pc12": "0.4", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_compounds_chromatogram.MS_pc22": "4", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_compounds_chromatogram.MS_peaksens12": "99", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_compounds_chromatogram.MS_peaksens22": "99", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_compounds_chromatogram.MS_areamode2": "2", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_compounds_chromatogram.MS_areathresholdabs2": "1000", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_compounds_chromatogram.MS_areathresholdrel2": "10", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_compounds_chromatogram.MS_intensitymode2": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_compounds_chromatogram.MS_intensitythresholdabs2": 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"#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_compounds_chromatogram.MS_noisecorr2": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_compounds_chromatogram.UV_peaksensmode2": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_compounds_chromatogram.UV_pc12": "0.4", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_compounds_chromatogram.UV_pc22": "4", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_compounds_chromatogram.UV_peaksens12": "99.9", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_compounds_chromatogram.UV_peaksens22": "100", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_compounds_chromatogram.UV_areamode2": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_compounds_chromatogram.UV_areathresholdabs2": "10", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_compounds_chromatogram.UV_areathresholdrel2": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_compounds_chromatogram.UV_intensitymode2": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_compounds_chromatogram.UV_intensitythresholdabs2": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_compounds_chromatogram.UV_intensitythresholdrel2": "0.01", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_compounds_chromatogram.UV_basesmoothmode2": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_compounds_chromatogram.UV_basesmoothpts2": "8", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_compounds_chromatogram.UV_basesmoothmin2": "12", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_compounds_chromatogram.UV_basesmoothforce2": "0.9", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_compounds_chromatogram.UV_startendslope2": "10", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_compounds_chromatogram.UV_valleyfilterused2": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_compounds_chromatogram.UV_valleyfilter2": "10", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_compounds_chromatogram.UV_noisecorr2": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_compounds_chromatogram.detect_delcmpdsinrng": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.auto_ms_n.use_retention_time_window": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.auto_ms_n.retention_time_window": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.auto_ms_n.rt_unit": "min", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.auto_ms_n.minimum_intensity_positive": "1000", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.auto_ms_n.minimum_intensity_negative": "1000", 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"#.analysis.DataAnalysis.DataAnalysis_processing_parameters.auto_ms_n.advanced_precursor_determination": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.dissect_params.dissect_addsmoothing": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.dissect_params.dissect_allow_wider_peaks": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.dissect_params.dissect_resolving_power": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.dissect_params.dissect_set_expected_width": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.dissect_params.dissect_expected_width": "3", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.dissect_params.dissect_deletepeaksinrange": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.dissect_params.dissect_fullrange": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.dissect_params.dissect_cutoff": "0.1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.dissect_params.dissect_sensitivity": "3", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.dissect_params.dissect_maxoverlap": "5", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.dissect_params.dissect_smoothwidth": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.dissect_params.spectrum_load_mode": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.dissect_params.add_uv_spectra": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_all_compounds.min_time_points": "20", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_all_compounds.min_correlation": "0.7", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_all_compounds.background_type": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_all_compounds.load_spec_type": "2", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_all_compounds.additional_smoothing": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_all_compounds.proteomics": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_all_compounds.chrom_sn_threshold": "3", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_all_compounds.chrom_smoothingwidth": "10", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_all_compounds.detect_delcmpdsinrng": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_all_compounds.add_MSMS_spectra": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_all_compounds.adducts_positive_mode": "", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.find_all_compounds.adducts_negative_mode": "", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.ms_peak_finder.ms_peak_finder_type": "3", 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"#.analysis.DataAnalysis.DataAnalysis_processing_parameters.ms_peak_finder.ms_peak_finder_centroid.signal_to_noise": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.ms_peak_finder.ms_peak_finder_centroid.relative_threshold_base_peak": "2", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.ms_peak_finder.ms_peak_finder_centroid.minimum_intensity": "100", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.ms_peak_finder.ms_peak_finder_centroid.centroid_percentage": "80", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.ms_peak_finder.ms_peak_finder_snap.minimum_intensity": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.ms_peak_finder.ms_peak_finder_snap.relative_threshold_base_peak": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.ms_peak_finder.ms_peak_finder_snap.signal_to_noise": "2", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.ms_peak_finder.ms_peak_finder_snap.maximum_charge": "12", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.ms_peak_finder.ms_peak_finder_snap.quality_factor_threshold": "0.9", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.ms_peak_finder.ms_peak_finder_snap.number_of_patterns": "500000", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.ms_peak_finder.ms_peak_finder_snap.building_block_1": "C 4.9384 N 1.3577 O 1.4773 S 0.0417 H 7.7583", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.ms_peak_finder.ms_peak_finder_snap.building_block_2": "", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.ms_peak_finder.ms_peak_finder_snap.use_snap_2": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.ms_peak_finder.ms_peak_finder_snap.add_detailed_results": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.ms_peak_finder.ms_peak_finder_sumpeak.minimum_intensity": "100", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.ms_peak_finder.ms_peak_finder_sumpeak.peak_width": "5", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.ms_peak_finder.ms_peak_finder_sumpeak.use_datapoints": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.ms_peak_finder.ms_peak_finder_sumpeak.sum_width": "5", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.ms_peak_finder.ms_peak_finder_sumpeak.relative_threshold_base_peak": "0.1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.ms_peak_finder.ms_peak_finder_sumpeak.signal_to_noise": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.ms_peak_finder.ms_peak_finder_sumpeak.baseline_type": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.ms_peak_finder.ms_peak_finder_sumpeak.baseline_flatness": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.ms_peak_finder.ms_peak_finder_sumpeak.same_sumwidth_as_acquisition": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.ms_peak_finder.ms_peak_finder_sumpeak.use_resolution": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.ms_peak_finder.ms_peak_finder_sumpeak.res": "10000", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.ms_peak_finder.ms_peak_finder_sumpeak.instrument_sum_width": "5", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.ms_peak_finder.ms_peak_finder_ftms.signal_to_noise": "4", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.ms_peak_finder.ms_peak_finder_ftms.relative_threshold_base_peak": "0.01", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.ms_peak_finder.ms_peak_finder_ftms.minimum_intensity": "100", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.ms_peak_finder.ms_peak_finder_ftms.centroid_percentage": "80", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.ms_peak_finder.ms_peak_finder_ftms.use_centroid": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.ms_peak_finder.ms_peak_finder_line_spectra.apply_line_spectra_threshold": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.ms_peak_finder.ms_peak_finder_line_spectra.line_spectra_threshold": "10", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.clear_prev_results": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.create_neutral_spectrum": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.incl_shifted_spectra": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.ret_residuals": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.incl_comp_details": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.show_comp_details": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.substance_class": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.extend_evelope": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.extend_before": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.extend_after": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.set_precursor_mono_isotopic": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.auto_apply": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.perf_deconv": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.rel_isotop_deconv": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.resolve_isotop": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.exclude_reporter_ions": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.reporter_ions": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.proteomics": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.abund_cutoff": "2", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.envelope_cutoff": "75", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.high_mass": "4000", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.low_mass": "250", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.mw_agreement": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.maximum_charge": "10", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.max_charge_isotop": "5", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.min_charge": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.min_peaks": "3", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.precursor_deconv": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.max_components": "10", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.adduct_ion_name": "+H", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.adduct_ion_mass": "1.00728", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.apply_min_max_mass_boundaries": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.perf_deconv (1)": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.rel_isotop_deconv (1)": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.resolve_isotop (1)": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.exclude_reporter_ions (1)": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.reporter_ions (1)": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.proteomics (1)": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.abund_cutoff (1)": "2", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.envelope_cutoff (1)": "75", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.high_mass (1)": "4000", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.low_mass (1)": "250", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.mw_agreement (1)": "5", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.maximum_charge (1)": "3", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.max_charge_isotop (1)": "5", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.min_charge (1)": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.min_peaks (1)": "3", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.precursor_deconv (1)": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.max_components (1)": "10", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.adduct_ion_name (1)": "+H", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.adduct_ion_mass (1)": "1.00728", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.apply_min_max_mass_boundaries (1)": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.perf_deconv (2)": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.rel_isotop_deconv (2)": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.resolve_isotop (2)": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.exclude_reporter_ions (2)": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.reporter_ions (2)": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.proteomics (2)": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.abund_cutoff (2)": "0.5", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.envelope_cutoff (2)": "75", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.high_mass (2)": "2000", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.low_mass (2)": "50", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.mw_agreement (2)": "5", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.maximum_charge (2)": "3", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.max_charge_isotop (2)": "4", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.min_charge (2)": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.min_peaks (2)": "3", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.precursor_deconv (2)": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.max_components (2)": "10", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.adduct_ion_name (2)": "+H", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.adduct_ion_mass (2)": "1.00728", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.apply_min_max_mass_boundaries (2)": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.perf_deconv (3)": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.rel_isotop_deconv (3)": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.resolve_isotop (3)": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.exclude_reporter_ions (3)": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.reporter_ions (3)": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.proteomics (3)": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.abund_cutoff (3)": "10", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.envelope_cutoff (3)": "75", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.high_mass (3)": "100000", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.low_mass (3)": "5000", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.mw_agreement (3)": "5", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.maximum_charge (3)": "100", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.max_charge_isotop (3)": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.min_charge (3)": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.min_peaks (3)": "3", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.precursor_deconv (3)": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.max_components (3)": "10", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.adduct_ion_name (3)": "+H", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.adduct_ion_mass (3)": "1.00728", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.deconvolution_detailed.apply_min_max_mass_boundaries (3)": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.max_entropy_deconvolution.adduct_ion_name": "-H", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.max_entropy_deconvolution.adduct_ion_mass": "-1.00783", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.max_entropy_deconvolution.low_mass": "5000", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.max_entropy_deconvolution.high_mass": "100000", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.max_entropy_deconvolution.spacint_out": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.max_entropy_deconvolution.resolving_power": "10000", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.max_entropy_deconvolution.peak_width": "0.3", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.max_entropy_deconvolution.width": "1", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.deconvolution.max_entropy_deconvolution.maxentx": "0", "#.analysis.DataAnalysis.DataAnalysis_processing_parameters.mascot_export.globalchargelimit_apply": "1", 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"#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.ms_spectrum.ms_peaks.pk.sn (20)": "15.3", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.ms_spectrum.ms_peaks.pk.fwhm (20)": "0.06186", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.ms_spectrum.ms_peaks.pk.mz (21)": "508.20039", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.ms_spectrum.ms_peaks.pk.i (21)": "59", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.ms_spectrum.ms_peaks.pk.sn (21)": "27.1", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.ms_spectrum.ms_peaks.pk.fwhm (21)": "0.06201", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.cmpdnr (1)": "2", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.rt (1)": "5.27233", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.rt_unit (1)": "min", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.title 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"0.04205", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.ms_spectrum.ms_peaks.pk.mz (30)": "235.26180", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.ms_spectrum.ms_peaks.pk.i (30)": "810", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.ms_spectrum.ms_peaks.pk.sn (30)": "797.3", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.ms_spectrum.ms_peaks.pk.fwhm (30)": "0.09893", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.ms_spectrum.ms_peaks.pk.mz (31)": "236.27268", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.ms_spectrum.ms_peaks.pk.i (31)": "141", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.ms_spectrum.ms_peaks.pk.sn (31)": "138.6", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.ms_spectrum.ms_peaks.pk.fwhm (31)": "0.08854", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.ms_spectrum.ms_peaks.pk.mz 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"#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.ms_spectrum.ms_peaks.pk.fwhm (38)": "0.04180", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.ms_spectrum.ms_peaks.pk.mz (39)": "307.09655", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.ms_spectrum.ms_peaks.pk.i (39)": "130", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.ms_spectrum.ms_peaks.pk.sn (39)": "128.3", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.ms_spectrum.ms_peaks.pk.fwhm (39)": "0.04351", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.ms_spectrum.ms_peaks.pk.mz (40)": "370.04359", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.ms_spectrum.ms_peaks.pk.i (40)": "128", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.ms_spectrum.ms_peaks.pk.sn (40)": "125.7", "#.analysis.DataAnalysis.peptide_database_querydata.compounds.cmpd.ms_spectrum.ms_peaks.pk.fwhm (40)": 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diff --git a/test_manager/reader_results/Powder Diffraction/Diffrac Plus/XCH-UXD/PD-01-02(2).UXD.json b/test_manager/reader_results/Powder Diffraction/Diffrac Plus/XCH-UXD/PD-01-02(2).UXD.json
index 7db4d755..6c252800 100644
--- a/test_manager/reader_results/Powder Diffraction/Diffrac Plus/XCH-UXD/PD-01-02(2).UXD.json	
+++ b/test_manager/reader_results/Powder Diffraction/Diffrac Plus/XCH-UXD/PD-01-02(2).UXD.json	
@@ -1 +1 @@
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2876, 2756, 2843, 2847, 2818], [2830, 2821, 2890, 2809, 2850, 2783, 2867, 2829], [2795, 2868, 2802, 2829, 2831, 2883, 2884, 2912], [2839, 2948, 2857, 2739, 2872, 2825, 2809, 2899], [2754, 2704, 2815, 2816, 2851, 2854, 2782, 2909], [2827, 2920, 2803, 2842, 2762, 2872, 2894, 2879], [2846, 2873, 2889, 2969, 2715, 2927, 2802, 2873], [2889, 2789, 2800, 2766, 2916, 2855, 2771, 2862], [2728, 2859, 2792, 2894, 2879, 2874, 2822, 2764], [2922, 2880, 2810, 2758, 2837, 2826, 2776, 2795], [2880, 2812, 2850, 2724, 2772, 2900, 2822, 2833], [2798, 2773, 2844, 2756, 2850, 2892, 2799, 2869], [2767, 2865, 2831, 2773, 2826, 2812, 2852, 2783], [2951, 2893, 2817, 2836, 2702, 2822, 2904, 2859], [2809, 2756, 2850, 2820, 2808, 2888, 2786, 2820], [2861, 2840, 2861, 2801, 2899, 2812, 2779, 2740], [2825, 2825, 2905, 2838, 2784, 2827, 2818, 2855], [2776, 2781, 2897, 2814, 2800, 2778, 2837, 2774], [2867, 2815, 2793, 2789, 2754, 2812, 2862, 2856], [2760, 2812, 2777, 2763, 2865, 2812, 2853, 2761], [2736, 2839, 2727, 2758, 2877, 2828, 2763, 2752], [2710, 2891, 2845, 2872, 2901, 2874, 2822, 2806], [2845, 2829, 2864, 2708, 2788, 2909, 2854, 2847], [2866, 2746, 2760, 2794, 2825, 2752, 2825, 2791], [2720, 2741, 2880, 2824, 2775, 2791, 2802, 2834], [2829, 2690, 2816, 2811, 2805, 2705, 2688, 2719], [2776, 2790, 2817, 2737, 2834, 2789, 2813, 2786], [2784, 2829, 2702, 2866, 2759, 2838, 2838, 2819], [2885, 2793, 2902, 2786, 2821, 2865, 2770, 2875], [2827, 2797, 2738, 2786, 2718, 2746, 2862, 2860], [2683, 2668, 2800, 2789, 2799, 2872, 2842, 2820], [2879, 2957, 2811, 2783, 2843, 2826, 2851, 2786], [2760, 2838, 2680, 2709, 2809, 2823, 2811, 2819], [2793, 2769, 2824, 2783, 2781, 2692, 2855, 2824], [2881, 2744, 2712, 2844, 2760, 2811, 2829, 2817], [2876, 2910, 2934, 2810, 2925, 2847, 2828, 2917], [2863, 2722, 2934, 2812, 2984, 2875, 2769, 2860], [2804, 2884, 2736, 2873, 2779, 2910, 2864, 2861], [2844, 2919, 2911, 2879, 2854, 2769, 2905, 2946], [2964, 2910, 2904, 2875, 2850, 2861, 2890, 2981], [2984, 2965, 2993, 2954, 2902, 2848, 2957, 3122], [2985, 2946, 2948, 3014, 3092, 2925, 3060, 2958], [3062, 3004, 3047, 3043, 3029, 3077, 3107, 3093], [3144, 3149, 3103, 3167, 3117, 3085, 3166, 3100], [3189, 3271, 3201, 3281, 3156, 3172, 3118, 3186], [3229, 3248, 3203, 3233, 3223, 3288, 3200, 3284], [3241, 3306, 3232, 3296, 3300, 3271, 3256, 3194], [3251, 3256, 3272, 3199, 3276, 3313, 3281, 3242], [3338, 3185, 3250, 3208, 3249, 3246, 3162, 3296], [3191, 3123, 3063, 3149, 3173, 3226, 3187, 3162], [3139, 3075, 3163, 3065, 3108, 3127, 3056, 3122], [3025, 3120, 3174, 2899, 2984, 2896, 3072, 3059], [3071, 2998, 3012, 3067, 2987, 2876, 2963, 2925], [2926, 2922, 3014, 2883, 2894, 2921, 2906, 2899], [2921, 2966, 2879, 2864, 2869, 2864, 2824, 2901], [2789, 2863, 2785, 2894, 2785, 2866, 2849, 2854], [2855, 2785, 2836, 2814, 2813, 2793, 2844, 2818], [2880, 2809, 2880, 2792, 2825, 2816, 2843, 2843], [2871, 2822, 2833, 2764, 2750, 2713, 2769, 2768], [2807, 2789, 2740, 2776, 2718, 2766, 2772, 2724], [2797, 2802, 2649, 2797, 2671, 2724, 2760, 2772], [2725, 2821, 2806, 2820, 2689, 2784, 2741, 2832], [2839, 2737, 2724, 2797, 2696, 2717, 2750, 2654], [2761, 2700, 2719, 2708, 2776, 2750, 2679, 2713], [2752, 2705, 2836, 2751, 2697, 2801, 2675, 2705], [2772, 2816, 2673, 2723, 2743, 2766, 2816, 2671], [2710, 2745, 2805, 2760, 2775, 2757, 2783, 2765], [2765, 2751, 2787, 2766, 2735, 2826, 2770, 2697], [2703, 2679, 2705, 2611, 2697, 2748, 2739, 2738], [2732, 2677, 2749, 2726, 2702, 2795, 2709, 2683], [2732, 2751, 2717, 2733, 2670, 2641, 2680, 2740], [2737, 2617, 2679, 2704, 2721, 2806, 2760, 2808], [2741, 2704, 2746, 2756, 2720, 2741, 2678, 2671], [2624, 2750, 2729, 2679, 2700, 2660, 2624, 2819], [2713, 2638, 2727, 2655, 2712, 2686, 2678, 2698], [2681, 2637, 2674, 2726, 2689, 2712, 2785, 2698], [2687, 2654, 2704, 2748, 2693, 2675, 2648, 2794], [2667, 2831, 2526, 2836, 2705, 2703, 2715, 2854], [2747, 2671, 2775, 2787, 2681, 2730, 2761, 2686], [2799, 2721, 2777, 2705, 2716, 2672, 2719, 2696], [2665, 2691, 2672, 2650, 2709, 2636, 2689, 2798], [2791, 2668, 2714, 2693, 2817, 2671, 2669, 2779], [2721, 2847, 2714, 2780, 2769, 2767, 2767, 2724], [2763, 2722, 2717, 2813, 2772, 2761, 2667, 2711], [2755, 2764, 2775, 2782, 2805, 2705, 2723, 2745], [2765, 2785, 2723, 2704, 2812, 2793, 2733, 2743], [2765, 2760, 2839, 2811, 2700, 2785, 2678, 2777], [2687, 2766, 2789, 2803, 2694, 2781, 2659, 2734], [2705, 2702, 2707, 2852, 2792, 2881, 2835, 2831], [2818, 2801, 2718, 2678, 2824, 2855, 2770, 2884], [2822, 2829, 2822, 2846, 2733, 2891, 2835, 2929], [2815, 2915, 2878, 2892, 2792, 2819, 2941, 2997], [2775, 2809, 2943, 2891, 2868, 2891, 2939, 2848], [2945, 3013, 2971, 3048, 2919, 2971, 2938, 3086], [2999, 3022, 3054, 3040, 3085, 3016, 3199, 3165], [3108, 3099, 3097, 3147, 3220, 3125, 3209, 3331], [3210, 3264, 3243, 3345, 3236, 3411, 3432, 3349], [3428, 3428, 3392, 3272, 3562, 3598, 3578, 3597], [3597, 3559, 3634, 3523, 3592, 3672, 3627, 3598], [3614, 3775, 3682, 3733, 3764, 3761, 3796, 3885], [3974, 3866, 3923, 3775, 3806, 3903, 3928, 3915], [4016, 3978, 3952, 4075, 4050, 3907, 4009, 3893], [4088, 3966, 4039, 3931, 4061, 4025, 3904, 4055], [4146, 3994, 3940, 3977, 4021, 3970, 3994, 3888], [4052, 4046, 3899, 3876, 3919, 3925, 3925, 3881], [3962, 3734, 3745, 3741, 3742, 3751, 3575, 3622], [3788, 3730, 3731, 3668, 3615, 3701, 3462, 3489], [3545, 3653, 3588, 3479, 3421, 3376, 3547, 3654], [3419, 3341, 3394, 3342, 3461, 3357, 3460, 3281], [3369, 3289, 3389, 3278, 3247, 3234, 3207, 3166], [3186, 3309, 3281, 3203, 3254, 3216, 3217, 3265], [3249, 3239, 3225, 3092, 3216, 3098, 3072, 3232], [3131, 3141, 3170, 3082, 3271, 3172, 3043, 3172], [3265, 3154, 3251, 3299, 3154, 3238, 3321, 3309], [3283, 3270, 3227, 3259, 3230, 3253, 3468, 3249], [3252, 3325, 3351, 3387, 3252, 3358, 3358, 3259], [3362, 3296, 3371, 3431, 3435, 3388, 3380, 3507], [3519, 3467, 3431, 3542, 3415, 3608, 3510, 3542], [3536, 3652, 3525, 3535, 3596, 3659, 3561, 3595], [3503, 3617, 3637, 3723, 3653, 3587, 3665, 3618], [3665, 3610, 3598, 3650, 3650, 3622, 3765, 3650], [3696, 3650, 3633, 3676, 3561, 3544, 3574, 3617], [3520, 3592, 3533, 3544, 3482, 3551, 3530, 3525], [3531, 3453, 3495, 3572, 3464, 3447, 3408, 3406], [3439, 3435, 3378, 3238, 3296, 3343, 3292, 3297], [3381, 3283, 3272, 3392, 3307, 3244, 3201, 3316], [3115, 3066, 3312, 3184, 3128, 3176, 3088, 3095], [3134, 3066, 3131, 3080, 3055, 3106, 2972, 3015], [3055, 3032, 3111, 3007, 2926, 3050, 2861, 3051], [2961, 2948, 3021, 2991, 2999, 3032, 2887, 3016], [3039, 3054, 2937, 3000, 2931, 2882, 2843, 2908], [2943, 2941, 2928, 2887, 2875, 2868, 2869, 2905], [2882, 2858, 2879, 2948, 2887, 2894, 2911, 2919], [2832, 2900, 2880, 2747, 2718, 2755, 2781, 2740], [2846, 2890, 2878, 2779, 2817, 2800, 2766, 2831], [2803, 2891, 2855, 2840, 2835, 2853, 2874, 2852], [2861, 2794, 2872, 2718, 2758, 2861, 2804, 2768], [2832, 2729, 2683, 2825, 2784, 2803, 2756, 2792], [2795, 2797, 2818, 2781, 2776, 2800, 2835, 2647], [2784, 2812, 2776, 2788, 2825, 2758, 2833, 2851], [2804, 2856, 2782, 2762, 2810, 2730, 2877, 2763], [2790, 2783, 2743, 2797, 2814, 2787, 2755, 2782], [2775, 2785, 2754, 2774, 2642, 2759, 2925, 2856], [2769, 2694, 2751, 2842, 2838, 2776, 2778, 2837], [2856, 2800, 2765, 2824, 2873, 2682, 2788, 2717], [2834, 2765, 2843, 2850, 2698, 2831, 2787, 2842], [2771, 2759, 2739, 2808, 2745, 2729, 2676, 2818], [2769, 2802, 2756, 2749, 2771, 2760, 2805, 2777], [2774, 2866, 2766, 2782, 2793, 2756, 2756, 2698], [2808, 2828, 2719, 2662, 2666, 2760, 2729, 2795], [2689, 2749, 2737, 2830, 2862, 2853, 2828, 2829], [2760, 2753, 2855, 2859, 2839, 2766, 2836, 2779], [2795, 2779, 2800, 2739, 2846, 2852, 2768, 2725], [2832, 2663, 2743, 2789, 2770, 2716, 2872, 2844], [2797, 2815, 2766, 2718, 2808, 2795, 2817, 2873], [2846, 2856, 2725, 2784, 2763, 2786, 2815, 2790], [2809, 2783, 2746, 2769, 2840, 2793, 2895, 2752], [2834, 2768, 2738, 2798, 2893, 2746, 2814, 2810], [2820, 2850, 2767, 2902, 2731, 2813, 2794, 2726], [2775, 2839, 2784, 2833, 2811, 2808, 2771, 2863], [2890, 2816, 2829, 2824, 2910, 2854, 2787, 2849], [2949, 2790, 2948, 2788, 2811, 2741, 2768, 2879], [2825, 2842, 2842, 2805, 2779, 2785, 2857, 2824], [2928, 2858, 2883, 2757, 2847, 2850, 2799, 2810], [2882, 2840, 2909, 2879, 2856, 2804, 2741, 2767], [2934, 2891, 2877, 2871, 2895, 2865, 2891, 2792], [2821, 2812, 3004, 2819, 2923, 2950, 2767, 2889], [2800, "", "", "", "", "", "", ""]]}], "metadata": {"file_name": "PD-01-02(2).UXD", "content_type": "", "mime_type": "text/plain", "extension": ".UXD", "reader": "UXDReader", "uploaded": "2024-10-12T05:19:23.935896"}}
\ No newline at end of file
diff --git "a/test_manager/reader_results/Powder Diffraction/Malvern Panalytical/Data Collector-xrdml/LA_P37cd_DUT52Zr-Thermo-XRD-5-90-45min_25\302\260C_1.xrdml.json" "b/test_manager/reader_results/Powder Diffraction/Malvern Panalytical/Data Collector-xrdml/LA_P37cd_DUT52Zr-Thermo-XRD-5-90-45min_25\302\260C_1.xrdml.json"
index 8c173a15..19b53aa9 100644
--- "a/test_manager/reader_results/Powder Diffraction/Malvern Panalytical/Data Collector-xrdml/LA_P37cd_DUT52Zr-Thermo-XRD-5-90-45min_25\302\260C_1.xrdml.json"	
+++ "b/test_manager/reader_results/Powder Diffraction/Malvern Panalytical/Data Collector-xrdml/LA_P37cd_DUT52Zr-Thermo-XRD-5-90-45min_25\302\260C_1.xrdml.json"	
@@ -1 +1 @@
-{"tables": [{"header": ["<xrdMeasurements xmlns=\"http://www.xrdml.com/XRDMeasurement/2.1\" xmlns:xsi=\"http://www.w3.org/2001/XMLSchema-instance\" xsi:schemaLocation=\"http://www.xrdml.com/XRDMeasurement/2.1 http://www.xrdml.com/XRDMeasurement/2.1/XRDMeasurement.xsd\" status=\"Completed\">", "\t<comment>", "\t\t<entry>Configuration=AP HTK 1200N oven with z-axis, Owner=user-1, Creation date=24.06.2019 13:33:55</entry>", "\t\t<entry>Goniometer=Omega/2Theta; Minimum step size 2Theta:0.0001; Minimum step size Omega:0.0001</entry>", "\t\t<entry>Sample stage=AP HTK 1200N oven with z-axis; Minimum step size Z:0.001</entry>", "\t\t<entry>Diffractometer system=EMPYREAN</entry>", "\t\t<entry>Measurement program=E:\\XRD Programs\\Leila\\HTC-1200N\\LAP-12-Thermo-XRD-5-90-45min.xrdmp, Identifier={7919BF4C-DDCA-4EAF-844C-147204A2E96A}</entry>", "\t\t<entry>Batch program=E:\\XRD Programs\\Leila\\HTC-1200N\\LAP-37cd-thermo-XRD-batch-25-400C.xrdmp, Identifier={133F67DC-2F10-424F-8341-D0703B7CEF2A}</entry>", "\t\t<entry>Height control correction model name=AP HTK 1200N Oven (air)</entry>", "\t</comment>", "\t<sample type=\"To be analyzed\">", "\t\t<id></id>", "\t\t<name></name>", "\t\t<preparedBy></preparedBy>", "\t</sample>", "\t<xrdMeasurement measurementType=\"Scan\" status=\"Completed\" sampleMode=\"Reflection\">", "\t\t<comment>", "\t\t\t<entry>PHD Lower Level = 4.02 (keV), PHD Upper Level = 12.88 (keV)</entry>", "\t\t</comment>", "\t\t<usedWavelength intended=\"K-Alpha 1\">", "\t\t\t<kAlpha1 unit=\"Angstrom\">1.5405980</kAlpha1>", "\t\t\t<kAlpha2 unit=\"Angstrom\">1.5444260</kAlpha2>", "\t\t\t<kBeta unit=\"Angstrom\">1.3922500</kBeta>", "\t\t\t<ratioKAlpha2KAlpha1>0.0000</ratioKAlpha2KAlpha1>", "\t\t</usedWavelength>", "\t\t<incidentBeamPath>", "\t\t\t<radius unit=\"mm\">240.00</radius>", "\t\t\t<xRayTube id=\"1010048\" name=\"Empyrean Cu LFF HR (9430 033 7310x) DK422082\">", "\t\t\t\t<tension unit=\"kV\">40.0</tension>", "\t\t\t\t<current unit=\"mA\">40.0</current>", "\t\t\t\t<anodeMaterial>Cu</anodeMaterial>", "\t\t\t\t<focus type=\"Line\">", "\t\t\t\t\t<length unit=\"mm\">12.0</length>", "\t\t\t\t\t<width unit=\"mm\">0.4</width>", "\t\t\t\t\t<takeOffAngle unit=\"deg\">6.0</takeOffAngle>", "\t\t\t\t</focus>", "\t\t\t</xRayTube>", "\t\t\t<monochromator id=\"23010013\" name=\"Inc. beam Johansson 1xGe111 Cu/Co\" hybrid=\"false\">", "\t\t\t\t<crystal type=\"Symmetric\" shape=\"Curved\">Ge</crystal>", "\t\t\t\t<numberOfReflections>1</numberOfReflections>", "\t\t\t\t<hkl>"], "metadata": {"rows": "3", "columns": "1"}, "columns": [{"key": "0", "name": "Column #0"}], "rows": [["1"], ["1"], ["1"]]}, {"header": ["\t\t\t\t</hkl>", "\t\t\t</monochromator>", "\t\t\t<mask id=\"22080003\" name=\"Fixed incident beam mask 15 mm\">", "\t\t\t\t<distanceToSample unit=\"mm\">125.00</distanceToSample>", "\t\t\t\t<width unit=\"mm\">11.60</width>", "\t\t\t</mask>", "\t\t\t<antiScatterSlit id=\"22010002\" name=\"Fixed slit 2\u00b0\" xsi:type=\"fixedAntiScatterSlitType\">", "\t\t\t\t<height unit=\"mm\">3.03</height>", "\t\t\t</antiScatterSlit>", "\t\t\t<divergenceSlit id=\"22010012\" name=\"Programmable divergence slit\" xsi:type=\"automaticDivergenceSlitType\">", "\t\t\t\t<distanceToSample unit=\"mm\">157.00</distanceToSample>", "\t\t\t\t<irradiatedLength unit=\"mm\">10.0</irradiatedLength>", "\t\t\t\t<offset unit=\"mm\">0.00</offset>", "\t\t\t</divergenceSlit>", "\t\t</incidentBeamPath>", "\t\t<diffractedBeamPath>", "\t\t\t<radius unit=\"mm\">240.00</radius>", "\t\t\t<antiScatterSlit id=\"22060009\" name=\"Programmable anti-scatter slit\" xsi:type=\"automaticAntiScatterSlitType\">", "\t\t\t\t<observedLength unit=\"mm\">10.0</observedLength>", "\t\t\t\t<offset unit=\"mm\">0.00</offset>", "\t\t\t</antiScatterSlit>", "\t\t\t<sollerSlit id=\"21020003\" name=\"Large Soller slits 0.04 rad.\">", "\t\t\t\t<opening unit=\"rad\">0.0400</opening>", "\t\t\t</sollerSlit>", "\t\t\t<detector id=\"7010019\" 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\ No newline at end of file
+{"tables": [{"header": [], "metadata": {"#.comment": "", "#.comment.entry": "Configuration=AP HTK 1200N oven with z-axis, Owner=user-1, Creation date=24.06.2019 13:33:55", "#.comment.entry (1)": "Goniometer=Omega/2Theta; Minimum step size 2Theta:0.0001; Minimum step size Omega:0.0001", "#.comment.entry (2)": "Sample stage=AP HTK 1200N oven with z-axis; Minimum step size Z:0.001", "#.comment.entry (3)": "Diffractometer system=EMPYREAN", "#.comment.entry (4)": "Measurement program=E:\\XRD Programs\\Leila\\HTC-1200N\\LAP-12-Thermo-XRD-5-90-45min.xrdmp, Identifier={7919BF4C-DDCA-4EAF-844C-147204A2E96A}", "#.comment.entry (5)": "Batch program=E:\\XRD Programs\\Leila\\HTC-1200N\\LAP-37cd-thermo-XRD-batch-25-400C.xrdmp, Identifier={133F67DC-2F10-424F-8341-D0703B7CEF2A}", "#.comment.entry (6)": "Height control correction model name=AP HTK 1200N Oven (air)", "#.sample": "", "#.sample.type": "To be analyzed", "#.xrdMeasurement": "", "#.xrdMeasurement.measurementType": "Scan", 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\ No newline at end of file
diff --git a/test_manager/test_file_manager.py b/test_manager/test_file_manager.py
index 57e11002..dbd850e4 100644
--- a/test_manager/test_file_manager.py
+++ b/test_manager/test_file_manager.py
@@ -17,17 +17,19 @@
 
 
 def load_profiles_from_git():
-    t = tempfile.mkdtemp()
-    # Clone into temporary dir
-    git.Repo.clone_from('https://github.com/ComPlat/chemotion_saurus.git', t, branch='added_data_files', depth=1)
-    # Copy desired file from temporary dir
-    if os.path.isdir(PROFILE_PATH):
-        shutil.rmtree(PROFILE_PATH)
-    if os.path.isdir(DATA_FILE_PATH):
-        shutil.rmtree(DATA_FILE_PATH)
-    os.makedirs(os.path.dirname(PROFILE_PATH), exist_ok=True)
-    os.makedirs(os.path.dirname(DATA_FILE_PATH), exist_ok=True)
-    shutil.move(os.path.join(t, 'static/files/shared_ChemConverter_files/profiles'), PROFILE_PATH)
-    shutil.move(os.path.join(t, 'static/files/shared_ChemConverter_files/data_files'), DATA_FILE_PATH)
-    # Remove temporary dir
-    shutil.rmtree(t)
+    """
+    Load profiles from git repository.
+    :return:
+    """
+    with tempfile.TemporaryDirectory() as t:
+        # Clone into temporary dir
+        git.Repo.clone_from('https://github.com/ComPlat/chemotion_saurus.git', t, branch='added_data_files', depth=1)
+        # Copy desired file from temporary dir
+        if os.path.isdir(PROFILE_PATH):
+            shutil.rmtree(PROFILE_PATH)
+        if os.path.isdir(DATA_FILE_PATH):
+            shutil.rmtree(DATA_FILE_PATH)
+        os.makedirs(os.path.dirname(PROFILE_PATH), exist_ok=True)
+        os.makedirs(os.path.dirname(DATA_FILE_PATH), exist_ok=True)
+        shutil.move(os.path.join(t, 'static/files/shared_ChemConverter_files/profiles'), PROFILE_PATH)
+        shutil.move(os.path.join(t, 'static/files/shared_ChemConverter_files/data_files'), DATA_FILE_PATH)
diff --git a/test_manager/utils.py b/test_manager/utils.py
index a72502f7..bea2fbb7 100644
--- a/test_manager/utils.py
+++ b/test_manager/utils.py
@@ -2,6 +2,12 @@
 
 from test_manager.test_file_manager import DATA_FILE_PATH, RES_PROFILE_PATH, RES_READER_PATH
 
+BLACK_LIST = [
+    "EIS/BioLogic/ECLab-mgr/CHD048_CHD050_60C_C05.mgr",
+    "EIS/BioLogic/ECLab-mgr/CHD048_CHD050_60C_C06.mgr",
+    "EIS/BioLogic/ECLab-mpr/CHD048_CHD050_60C_C07.mpr",
+    "EIS/BioLogic/ECLab-mgr/testCHD048_CHD050_401_201_60C_C01.mgr",
+]
 
 def _walk_step(src_path: str):
     for entry in os.listdir(src_path):
@@ -28,5 +34,9 @@ def basic_walk(callback):
                 os.makedirs(res_profile_path, exist_ok=True)
                 os.makedirs(res_reader_path, exist_ok=True)
                 for file in os.listdir(software_path):
-                    print('/'.join([ontology, device, software, file]))
-                    callback(software_path, file, res_reader_path, res_profile_path)
+                    file_path = '/'.join([ontology, device, software, file])
+                    print(file_path)
+                    if file_path not in BLACK_LIST:
+                        callback(software_path, file, res_reader_path, res_profile_path)
+                    else:
+                        print(f"Blacklisted: {file_path}")
diff --git a/test_manager/utils_test.py b/test_manager/utils_test.py
index a9f4c143..40ff6ee0 100644
--- a/test_manager/utils_test.py
+++ b/test_manager/utils_test.py
@@ -19,16 +19,21 @@
 FLASK_APP = None
 
 def compare_reader_result(src_path, res_path, file):
-    with open(os.path.join(src_path, file), 'rb') as fp:
-        file_storage = FileStorage(fp)
-        with open(os.path.join(res_path, file + '.json'), 'r', encoding='utf8') as f_res:
-            expected_result = json.loads(f_res.read())
-            f_res.close()
-            reader = registry.match_reader(File(file_storage))
-            if reader:
-                reader.process()
-                content = reader.as_dict
-                return (expected_result, content, True)
+    expected_result = {}
+    try:
+        with open(os.path.join(src_path, file), 'rb') as fp:
+            file_storage = FileStorage(fp)
+            with open(os.path.join(res_path, file + '.json'), 'r', encoding='utf8') as f_res:
+                expected_result = json.loads(f_res.read())
+                f_res.close()
+                reader = registry.match_reader(File(file_storage))
+                if reader:
+                    reader.process()
+                    content = reader.as_dict
+                    return (expected_result, content, True)
+    except FileNotFoundError:
+        print('Reader result not found')
+        print(traceback.format_exc())
     return (expected_result, {}, False)
 
 
diff --git a/test_static/__init__.py b/test_static/__init__.py
new file mode 100644
index 00000000..e69de29b
diff --git a/test_static/test_regex.py b/test_static/test_regex.py
new file mode 100644
index 00000000..53eb1e74
--- /dev/null
+++ b/test_static/test_regex.py
@@ -0,0 +1,75 @@
+import re
+import pytest
+
+from converter_app.readers.helper.base import Reader
+
+# The regex pattern we are testing
+pattern = Reader.float_pattern
+
+def is_match(s: str):
+    """
+    Helper function to test if a string matches the pattern
+    :param s:
+    :return:
+    """
+    rs = re.findall(pattern, s)
+    return len(rs) == 1 and len(rs[0]) == len(s)
+
+@pytest.mark.parametrize("test_input,expected", [
+    # 1. Simple Integers
+    ("42", True),              # Positive integer
+    ("-42", True),             # Negative integer
+    ("+42", True),             # Leading plus
+    ("0", True),               # Zero
+    ("000", True),             # Multiple zeros
+
+    # 2. Decimal Numbers
+    ("42.5", True),            # Basic decimal
+    (".5", True),              # Decimal with leading dot
+    ("0.5", True),             # Decimal with leading zero
+    ("42.", False),            # Decimal with trailing dot (invalid)
+    ("42,5", True),            # Comma as decimal separator
+
+    # 3. Scientific Notation
+    ("1e10", True),            # Basic scientific notation
+    ("1E10", True),            # Uppercase E
+    ("1e-10", True),           # Negative exponent
+    ("1e+10", True),           # Positive exponent
+    ("e10", False),            # No digits before exponent (invalid)
+
+    # 4. Edge Cases
+    ("", False),               # Empty string (invalid)
+    ("   ", False),            # Whitespace-only (invalid)
+    (" 42 ", False),            # Spaces around number (invalid)
+    ("+", False),              # Only sign (invalid)
+    ("-", False),              # Only sign (invalid)
+    ("++42", False),           # Multiple signs (invalid)
+    ("--42", False),           # Multiple signs (invalid)
+    ("42abc", False),          # Invalid characters in the number (invalid)
+
+    # 5. Invalid Formats
+    ("42.5.1", False),         # Multiple decimal separators (invalid)
+    (".", False),              # Only decimal separator (invalid)
+    ("e", False),             # Only scientific notation sign (invalid)
+    ("1e", False),             # Scientific notation without exponent (invalid)
+
+    # 6. Numbers with Commas (International)
+    ("1,000", True),          # Number with commas as thousands separators
+    ("1,000.5", False),        # Mixed usage of commas and dots (invalid)
+
+    # 7. Leading and Trailing Spaces
+    (" 42", False),             # Leading space (invalid)
+    ("42 ", True),             # Trailing space
+    ("  42.5  ", False),        # Leading and trailing spaces (invalid)
+])
+
+def test_regex_match(test_input, expected):
+    """
+    tests the float regex
+
+    :param test_input:
+    :param expected:
+    :return:
+    """
+
+    assert is_match(test_input) == expected
diff --git a/test_static/tests.py b/test_static/tests.py
new file mode 100644
index 00000000..1328162e
--- /dev/null
+++ b/test_static/tests.py
@@ -0,0 +1,52 @@
+import os
+import tempfile
+
+import pytest
+from flask import Flask
+from flask.testing import FlaskClient
+
+from converter_app.app import create_app
+
+res_path = os.path.abspath(os.path.join(os.path.dirname(__file__), '../test_files/ConverterAutoResults'))
+src_path = os.path.abspath(os.path.join(os.path.dirname(__file__), '../test_files/ChemConverter'))
+
+
+@pytest.fixture
+def app():
+    """Create and configure a new app instance for each test."""
+    # create a temporary file to isolate the database for each test
+    db_fd, db_path = tempfile.mkstemp()
+    # create the app with common test config
+    yield create_app()
+
+    # close and remove the temporary database
+    os.close(db_fd)
+    os.unlink(db_path)
+
+
+@pytest.fixture
+def client(app: Flask):
+    """
+    A test client for the app.
+    """
+
+    return app.test_client()
+
+
+@pytest.fixture
+def test_files():
+    """Get Flask app as fixture"""
+    yield {
+        'res': res_path,
+        'src': src_path
+    }
+
+
+def test_settings_list(client: FlaskClient):
+    """
+    Test setting tests
+    :param client: Flask client
+    """
+
+    response = client.get('/')
+    assert response.status_code == 200