Maltcms
The "Modular Application Toolkit for Chromatography Mass-Spectrometry" is an application framework mainly suited for developers working in the domain of bioinformatics for metabolomics and proteomics.
Open Data Formats
- supports chromatography and mass-spectral data from netcdf (ANDI-MS/-Chrom), mzXML, mzData and mzML formats
- supports msp-format (Amdis, NIST MS Search, GMD-DB) database import for mass spectral search
- mass-spectral data export in msp format
- comma-separated-value (csv) data export for table-like data, e.g. alignments, peak tables etc.
Software Framework
- generic framework for custom processing of chromatography-mass spectrometry data
- efficient access to files of arbitrary size
- easy to use level-of-abstraction application programming interface
- creation of charts and plots for chromatograms, mass spectra, aligned and unaligned
- academic and business friendly licensing (L-GPL v3 or EPL)
Parallelization
- individual tasks can be executed concurrently
-
Mpaxs provides transparent parallel execution within the same virtual machine or within a distributed grid environment
- convenience utilties for executing and collection of results from embarrassingly parallel tasks
- simple integration with JAVA's
Runnable and Callable classes
ChromA
- fast peak finder for chromatographic peaks
- import of significant peaks as alignment anchors
- multiple alignment and peak matching based on mass spectral similarities
- clustering of chromatograms based on alignments
ChromA4D
- peak finder for comcodehensive GCxGC-MS and other multicolumn chromatography-MS
- peak area integration based on 2D-TIC
- multiple alignment and peak matching based on mass spectral similarities
- Netbeans RCP based user interface to Maltcms, ChromA and ChromA4D
- visual definition and editing of processing pipelines
- visualizations of processing results, raw and processed data
