Tag: Chromatography Mass Spectrometry

ChromA 0.9 – Alignment for Chromatography Mass Spectrometry Data

ChromA 0.9

:: DESCRIPTION

ChromA (Chromatogram Alignment) provides the Dynamic Time Warping algorithm for the alignment of data from the domain of Gas- and Liquid-Chromatography Mass-Spectrometry. It uses additional constraints and can be configured to use different local functions to evaluate the similarity of mass spectra between chromatograms. It allows the definition of anchors, which are the positions of conserved compounds, constraining the alignment and providing a speedup. Furthermore, ChromA provides different visualizations of the alignment, as well as a textual format for further processing of chromatograms.

::DEVELOPER

Nils Hoffmann

:: SCREENSHOTS

:: REQUIREMENTS

  • Linux / Mac / Windows
  • Java

:: DOWNLOAD

ChromA

:: MORE INFORMATION

Citation

ChromA: Signal Based Retention Time Alignment for Chromatography-Mass Spectrometry Data
Nils Hoffmann; Jens Stoye
Bioinformatics 2009; doi: 10.1093/bioinformatics/btp343

Maltcms 1.3.2 / Maui 1.2.1 – Modular Application Toolkit for Chromatography Mass-Spectrometry

Maltcms 1.3.2 / Maui 1.2.1

:: DESCRIPTION

Maltcms (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. Its aim is to provide reusable, efficient datastructures, abstracting from the various low-level data-formats like netcdf (ANDIMS), mzXML, mzData and mzML and providing consistent access to data features like mass spectra, chromatograms and metadata. Furthermore, Maltcms provides a platform for the implementation and execution of processing pipelines. New and existing algorithms can be easily implemented or included and executed together with existing processing elements.

Maui (Maltcms User Interface) is an application for visualization, exploration and processing of raw data from GC/LC-MS and GCxGC-MS experiments.

::DEVELOPER

Nils Hoffmann

:: SCREENSHOTS

:: REQUIREMENTS

  • Linux / Mac / Windows
  • Java

:: DOWNLOAD

Maltcms , Maui

:: MORE INFORMATION

Citation

ChromA: Signal Based Retention Time Alignment for Chromatography-Mass Spectrometry Data
Nils Hoffmann; Jens Stoye
Bioinformatics 2009; doi: 10.1093/bioinformatics/btp343

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