Plugins

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OpenChrom supports a wide range of functions. Additional plug-ins can be installed by using the marketplace. This page gives a short overview.

Import/Export Converter

Name Licence Key Community Edition Enterprise Edition
Agilent FID Import Converter Free Licence required not included included
Agilent MSD Import Converter Free Licence required not included included
Bruker Flex MSD Import Converter Free Licence required not included included
Chromatogram Peak Loadings (*.mpl) EPL 1.0 not required included included
Chromatogram Peak NIST Text (*.msp) EPL 1.0 not required included included
Chromatogram Peaks AMDIS (*.msl) EPL 1.0 not required included included
Chromtech Import Converter Free Licence required not included included
CSV Import-Export Converter Free Licence required not included included
Finnigan ITDS Import Converter Free Licence required not included included
Finnigan ITS40 Import Converter Free Licence required not included included
Finnigan MAT Import Converter Free Licence required not included included
Finnigan RAW Import Converter Free Licence required not included included
JCAMP-DX (*.JDX) EPL 1.0 not required included included
Microsoft Excel Export Converter Free Licence required not included included
mzXML v2.1 (*.mzXML) Apache Licence 2.0 not required included included
NetCDF Import-Export Converter LGPL 2.1 not required installed on demand installed on demand
OpenChrom Converter (*.ocb) EPL 1.0 not required included included
OpenChrom XML Converter (*.chrom) EPL 1.0 not required included included
PDF Export Converter Free Licence required not included included
Perkin-Elmer MSD Import Converter Free Licence required not included included
Shimadzu QGD Import Converter Free Licence required not included included
Shimadzu SPC Import Converter Free Licence required not included included
Varian SMS Import Converter Free Licence required not included included
Varian XMS Import Converter Free Licence required not included included
VG Import Converter Free Licence required not included included
Waters MSD Import Converter Free Licence required not included included
ZIP Import-Export Converter Free Licence required not included included




Classifier

Classifier are used to extract informations and statistics from a chromatogram. Classifier do not modify the chromatographic data.



Filter

Filter can be used to post-optimize the data. Please note, filter modify the chromatographic data.

  • Mass Fragment Remover - Removes selected mass fragments like nitrogen (m/z 28) from the chromatogram
  • Chemical Noise Reduction (Denoising) - Tries to remove noise from the chromatogram
  • Savitzky-Golay Smoothing - Smoothes the data
  • CODA - Deconvolutes the chromatogram
  • Backfolding - Deconvolutes the chromatogram
  • Scan Remover - Removes scans by a pattern (AMDIS fails by too many scans)



Baseline Detection

Baselines can be used to identify background areas.

  • Baseline Detector Smoothed - detects a smoothed baseline



Peak Detection

Peak detection and integration are separated in OpenChrom for the reason of a higher flexibility. The following peak detectors are currently available:

  • Peak Detector #1 - Detects peaks by using the first derivative using the modes VB, BV, VV
  • Manual Peak Detector - Peaks can be added manually too



Peak Integration

There are different methods available to integrate the area of the chromatogram, the baseline and the peaks.

  • Integrator #1 - Calculates the peak are by using infinitesimal calculus methods
  • Sumarea Integrator - Integrates the total area for each m/z value stored in the chromatogram (no peak detection is needed previously)
  • PeakMax Integrator - Takes the intensity at peak maximum as the area. It works only, if all peaks are of equal gaussian shape.



Peak Identification

Peaks can be identified by the following plug-ins:

  • NIST-DB Identifier - Utilizes an existing NIST mass spectral database
  • PeakIdent - Create own peak databases and use them for identification



Chromatogram Identification

Chromatograms can be identified by the following plug-ins:

  • ChromIdent - Identify chromatograms by pattern recognition methods
  • MultiScanIdent - Identify chromatograms by comparison methods



Reporting

There is an extension point available to create reports in various formats.

  • OpenChrom Report - Report peaks, identifications results, etc. in ASCII format



Processing

OpenChrom allows to process chromatograms and peaks in different ways.

  • Batch Process - Load, edit and save chromatograms in a batch process
  • Peak Batch Identification - Identify peak list in a batch process
  • Groovy-Script Support - Edit/Analyze chromatograms in a user specific way



Miscellaneous

There are several additional functions available in OpenChrom:

  • Microsoft Office Connector - Edit Microsoft Word and Excel documents inline
  • OpenOffice/LibreOffice Connector - Edit OpenOffice/LibreOffice Writer and Calc documents inline
  • Batch Edit Support - Edit chromatograms batchwise


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