OpenChrom


OpenChrom is an open source software for the analysis and visualization of mass spectrometric and chromatographic data. Its focus is to handle native data files from several mass spectrometry systems, vendors like Agilent Technologies, Varian, Shimadzu, Thermo Fisher, PerkinElmer and others. But also data formats from other detector types are supported recently.
OpenChrom supports only the analysis and representation of chromatographic and mass spectrometric data. It has no capabilities for data acquisition or control of vendor hardware. OpenChrom is built on the Eclipse Rich Client Platform, hence it is available for various operating systems, e.g. Microsoft Windows, macOS and Linux. It is distributed under the Eclipse Public License 1.0. Third-party libraries are separated into single bundles and are released under various OSI compatible licenses.

History

OpenChrom was developed by Philip Wenig as part of his PhD thesis at the University of Hamburg, Germany. The focus of the thesis was to apply pattern recognition techniques on datasets recorded by analytical pyrolysis coupled with chromatography and mass spectrometry.
OpenChrom won the Thomas Krenn Open Source Award 2010 as well as the Eclipse Community Award 2011. The developers are also founding members of the Eclipse Science Working Group. After successful commercialization of contract development and services around the OpenChrom project, vendor Lablicate reinforced the commitment to Free/Libre/Open-Source Software with the release of ChemClipse in October 2016, which serves as the base for all OpenChrom products.
The Lablicate Team is integrated into the mass spectrometry department of the University of Hamburg. They provide their chemometric knowledge for students and researchers.

Supported data formats

Each system vendor stores the recorded analysis data in its own proprietary format. That makes it difficult to compare data sets from different systems and vendors. Furthermore, it's a big drawback for interlaboratory tests. The aim of OpenChrom is to support a wide range of different mass spectrometry data formats natively. OpenChrom takes care that the raw data files can't be modified according to the good laboratory practice. To help scientists OpenChrom supports several open formats to import and export the analysis results. In addition, OpenChrom offers its own open source format that makes it possible to save the edited chromatogram as well as the peaks and identification results.

[Mass selective detector]

OpenChrom offers a variety of features to analyze chromatographic data:
The software was first released in 2010. Each release is named after a famous scientist.
CodenameEponymDateVersion
ThomsonJoseph John ThomsonApril 2010
GoldsteinEugen GoldsteinMay 2010
WienWilhelm WienOctober 2010
TswettMikhail Semyonovich TswettApril 2011
MartinArcher John Porter MartinOctober 2011
SyngeRichard L. M. SyngeApril 2012
NernstWalther NernstOctober 2012
DempsterArthur Jeffrey DempsterJuly 2013
MattauchJosef MattauchJuly 2014
AstonFrancis William AstonJuly 2015
DielsOtto DielsJuly 2016
AlderKurt AlderAugust 2017
DaltonJohn DaltonAugust 2018
LawrenceErnest LawrenceAugust 2019