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DocumentationExporting DataIntroduction

Introduction

pyXLMS supports export to the following down-stream analysis tools and file formats for crosslinks and crosslink-spectrum-matches.

Important

Please note that all exporters check if the required information to create a successful export is available at runtime! If key information is missing, an error will be raised!

Warning

Please note that the exporters do not check which pre-processing steps have been carried out beforehand! Some down-stream analysis tools might require validated results, some might require raw results, some might require target matches only, some might require target and decoy matches, etc. Which filtering steps are applied before export are up to you - the user - and your own responsibility. Please read the instructions of the down-stream analysis tool you want to use and get familiar with it and the required data before exporting! The exporter tutorial pages also give a short overview of recommended pre-processing steps!

Available Exporters with Documented Tutorial Pages

Overview of Supported Down-Stream Analysis Tools and Export Formats

The following abbreviations are used:

  • CSMs: crosslink-spectrum-matches
  • XLs: crosslinks/residue pairs

The following export options are currently available:

Tool/FormatExporterCSMsXLsPageAPI DocsTool Link
pandas.DataFrame/.csv/.xlsx/.jsontransform.to_dataframe()linklink 
AlphaLink2exporter.to_alphalink2()linklink link 
IMP-X-FDRexporter.to_impxfdr()linklink link 
MS Annikaexporter.to_msannika()linklink link 
ProXLexporter.to_proxl()linklink link 
PyXlinkViewer (pyMOL)exporter.to_pyxlinkviewer()linklink link 
xiFDRexporter.to_xifdr()linklink link 
xiNETexporter.to_xinet()linklink link 
xiVIEWexporter.to_xiview()linklink link 
XlinkDBexporter.to_xlinkdb()linklink link 
xlms-toolsexporter.to_xlmstools()linklink link 
XMAS (ChimeraX)exporter.to_xmas()linklink link 

API Summary

Here’s a quick summary of the available functions, their page links and their API documentations:

Function NamePageAPI Docs
exporter.to_alphalink2()linklink 
exporter.to_impxfdr()linklink 
exporter.get_msannika_crosslink_sequence()link 
exporter.to_msannika()linklink 
exporter.to_proxl()linklink 
exporter.to_pyxlinkviewer()linklink 
exporter.to_xifdr()linklink 
exporter.to_xinet()linklink 
exporter.to_xiview()linklink 
exporter.to_xlinkdb()linklink 
exporter.to_xlmstools()linklink 
exporter.to_xmas()linklink 
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