TY  - JOUR
AU  - Leufken, Johannes
AU  - Niehues, Anna
AU  - Sarin, L Peter
AU  - Wessel, Florian
AU  - Hippler, Michael
AU  - Leidel, Sebastian A
AU  - Fufezan, Christian
TI  - pyQms enables universal and accurate quantification of mass spectrometry data.
JO  - Molecular & cellular proteomics
VL  - 16
IS  - 10
SN  - 1535-9484
CY  - Bethesda, Md.
PB  - The American Society for Biochemistry and Molecular Biology
M1  - DKFZ-2017-04704
SP  - 1736 - 1745
PY  - 2017
AB  - Quantitative mass spectrometry (MS) is a key technique in many research areas (1), including proteomics, metabolomics, glycomics, and lipidomics. Because all of the corresponding molecules can be described by chemical formulas, universal quantification tools are highly desirable. Here, we present pyQms, an open-source software for accurate quantification of all types of molecules measurable by MS. pyQms uses isotope pattern matching that offers an accurate quality assessment of all quantifications and the ability to directly incorporate mass spectrometer accuracy. pyQms is, due to its universal design, applicable to every research field, labeling strategy, and acquisition technique. This opens ultimate flexibility for researchers to design experiments employing innovative and hitherto unexplored labeling strategies. Importantly, pyQms performs very well to accurately quantify partially labeled proteomes in large scale and high throughput, the most challenging task for a quantification algorithm.
LB  - PUB:(DE-HGF)16
C6  - pmid:28729385
C2  - pmc:PMC5629261
DO  - DOI:10.1074/mcp.M117.068007
UR  - https://inrepo02.dkfz.de/record/128689
ER  -