OpenChrom supports a wide range of functions. Additional plug-ins can be installed by using the marketplace. This page gives a short overview.
Classifier are used to extract informations and statistics from a chromatogram. Classifier do not modify the chromatographic data.
- Water, Nitrogen, Carbon Dioxide Classifier (WNC) - Calculate the percentage content of water, nitrogen and carbon dioxide in a chromatogram
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)
Baselines can be used to identify background areas.
- Baseline Detector Smoothed - detects a smoothed baseline
- 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
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.
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
Chromatograms can be identified by the following plug-ins:
- ChromIdent - Identify chromatograms by pattern recognition methods
- MultiScanIdent - Identify chromatograms by comparison methods
There is an extension point available to create reports in various formats.
- OpenChrom Report - Report peaks, identifications results, etc. in ASCII format
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
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