From bbb8cc3b3c5d2e6e495f80722b3a73948f9b0899 Mon Sep 17 00:00:00 2001 From: Emma Schymanski Date: Fri, 25 Oct 2024 11:49:47 +0200 Subject: [PATCH] Update index.md Adjusted the "tools" page --- projects/converter/index.md | 10 +++++----- 1 file changed, 5 insertions(+), 5 deletions(-) diff --git a/projects/converter/index.md b/projects/converter/index.md index d374dec..b202edc 100644 --- a/projects/converter/index.md +++ b/projects/converter/index.md @@ -14,15 +14,15 @@ role="button">Submit an issue
-

Massbank to MetFrag

+

MassBank to MetFrag

-Convert a Massbank record to a MetFrag query file to directly process it with MetFrag. +Convert a MassBank record to a MetFrag query file to directly process it with MetFrag.

# java -jar ConvertMassbankToMetFragRecord.jar massbank-input-file metfrag-output-file
-The converter writes information extracted from the Massbank record in the MetFrag query file. This includes among other things the given peak list as well as the precursor mass and if available -the molecular formula and database identifiers of the relating molecule. +The converter writes information extracted from the MassBank record in the MetFrag query file. This includes the given peak list, the precursor mass and if available +the molecular formula and database identifiers of the related molecule.

SDF to XLS

@@ -33,6 +33,6 @@ Convert a SDF output file generated by MetFrag to the more human-readable XLS fi # java -jar ConvertSDFtoXLS.jar sdf-input-file output-folder 1 //with images -The defined output folder is used to mark the destination for the gernerated XLS output file that will contain the given SDF properties in seperate columns. If the additional third parameter 1 is +The defined output folder is used to mark the destination for the generated XLS output file that will contain the given SDF properties in seperate columns. If the additional third parameter 1 is given, the converter generates structure images that are displayed in an extra column for each molecule. This option is not recommended if the SDF contains a large number of candidates.