Releases: AdityaSavara/MSRESOLVE
Version 44.10.1
Changing unit tests to use the pip version of UnitTesterSG
Travis CI automatic unit testing now working
Version 44.9.4
Uncertainties now on by default.
Converted more unit tests to tsv.
Version 44.9.2
Added 'auto' to apply reference mass fragments thresholds, so it is applied automatically with sls (and off for inverse) and made 'auto' the default in UserInput
Changed the default in UserInput solverChoice to sls unique
Turning off timeRangeLimit in Default User Input
Truncated the main directory example to be a smaller data set to run fast enough with sls unique as default
Changed more unit tests to use ".tsv" for their reference files and added tsv files as needed in the directories.
Version 44.8.0
Changed some things to be on by default:
lowerBoundThresholdChooser on and set to 0.02
dataSmootherChoice on and set to pointrange radius of 2
applyReferenceMassFragmentsThresholds to yes
referenceMassFragmentFilterThreshold = 5.0
referenceSignificantFragmentThresholds = 6.0
updated bmfc and its unit testing slightly
Version 44.7.0
added 'file' option to collectedFileUncertainties and then renamed the UserInput variable
collectedFileUncertainties --> dataToAnalyze_uncertainties
referenceFileUncertainties --> referencePatterns_uncertainties
Version 44.6.0
Changing UserInput Variable:
answer --> solverChoice
Version 44.5.0
Significant changes in variable names:
referenceFileNamesList--> referencePatternsFileNamesList
referenceFormsList --> referencePatternsFormsList
collectedFileName --> dataToAnalyzeFileName
oldCollectedFileName --> oldDataToAnalyzeFileName
'measuredReferenceYorN' --> 'tuningCorrection'
minimalReferenceValue --> applyReferenceMassFragmentsThresholds
rawSignalThresholdMethod --> applyRawSignalThresholds
referenceValueThreshold --> referenceMassFragmentFilterThreshold
Version 44.1.0
Fixed created mixed reference pattern bug (was created sometime in last year)
Changed sls implicit default to true
Converted more unit tests to tsv
Version 43.1.1
Increased tsv file compatibility with iterative and tuning corrector including tuning corrector gas mixture
Version 43.0.1
Significant Upgrade to MSRESOLVE to be compatible with the newest JDXConverter file outputs: now the MSReferenceData class supports tab separated files (tsv) and this is now the default for MSRESOLVE.
Other improvements in this release include improvements to the Tuning Corrector features and the documentation of the tuning correction unit tests.