Methods for recalibration of mass spectrometry data
Abstract
Disclosed are methods for recalibrating mass spectrometry data that provide improvement in both mass accuracy and precision by adjusting for experimental variance in parameters that have a substantial impact on mass measurement accuracy. Optimal coefficients are determined using correlated pairs of mass values compiled by matching sets of measured and putative mass values that minimize overall effective mass error and mass error spread. Coefficients are subsequently used to correct mass values for peaks detected in the measured dataset, providing recalibration thereof. Sub-ppm mass measurement accuracy has been demonstrated on a complex fungal proteome after recalibration, providing improved confidence for peptide identifications.
- Inventors:
-
- Richland, WA
- Issue Date:
- Research Org.:
- Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 962741
- Patent Number(s):
- 7499807
- Application Number:
- 11/524,028
- Assignee:
- Battelle Memorial Institute (Richland, WA)
- Patent Classifications (CPCs):
-
H - ELECTRICITY H01 - BASIC ELECTRIC ELEMENTS H01J - ELECTRIC DISCHARGE TUBES OR DISCHARGE LAMPS
- DOE Contract Number:
- AC05-76RL01830
- Resource Type:
- Patent
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 47 OTHER INSTRUMENTATION
Citation Formats
Tolmachev, Aleksey V, and Smith, Richard D. Methods for recalibration of mass spectrometry data. United States: N. p., 2009.
Web.
Tolmachev, Aleksey V, & Smith, Richard D. Methods for recalibration of mass spectrometry data. United States.
Tolmachev, Aleksey V, and Smith, Richard D. Tue .
"Methods for recalibration of mass spectrometry data". United States. https://www.osti.gov/servlets/purl/962741.
@article{osti_962741,
title = {Methods for recalibration of mass spectrometry data},
author = {Tolmachev, Aleksey V and Smith, Richard D},
abstractNote = {Disclosed are methods for recalibrating mass spectrometry data that provide improvement in both mass accuracy and precision by adjusting for experimental variance in parameters that have a substantial impact on mass measurement accuracy. Optimal coefficients are determined using correlated pairs of mass values compiled by matching sets of measured and putative mass values that minimize overall effective mass error and mass error spread. Coefficients are subsequently used to correct mass values for peaks detected in the measured dataset, providing recalibration thereof. Sub-ppm mass measurement accuracy has been demonstrated on a complex fungal proteome after recalibration, providing improved confidence for peptide identifications.},
doi = {},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2009},
month = {3}
}