DtaRefinery: a software tool for elimination of systematic errors from parent ion mass measurements in tandem mass spectra datasets
Hybrid two-stage mass spectrometers capable of both highly accurate mass measurement and MS/MS fragmentation have become widely available in recent years and have allowed for sig-nificantly better discrimination between true and false MS/MS pep-tide identifications by applying relatively narrow windows for maxi-mum allowable deviations for parent ion mass measurements. To fully gain the advantage of highly accurate parent ion mass meas-urements, it is important to limit systematic mass measurement errors. The DtaRefinery software tool can correct systematic errors in parent ion masses by reading a set of fragmentation spectra, searching for MS/MS peptide identifications, then fitting a model that can estimate systematic errors, and removing them. This results in a new fragmentation spectrum file with updated parent ion masses.
- Research Organization:
- Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Environmental Molecular Sciences Lab. (EMSL)
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- AC05-76RL01830
- OSTI ID:
- 973724
- Report Number(s):
- PNNL-SA-62317; 24698; 400412000; TRN: US201006%%952
- Journal Information:
- Molecular & Cellular Proteomics. MCP, 9.3:486-496, Vol. 9, Issue 3
- Country of Publication:
- United States
- Language:
- English
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