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Title: 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:
 [1];  [1]
  1. Richland, WA
Publication Date:
Research Org.:
Pacific Northwest National Laboratory (PNNL), Richland, WA
Sponsoring Org.:
USDOE
OSTI Identifier:
962741
Patent Number(s):
7,499,807
Application Number:
11/524,028
Assignee:
Battelle Memorial Institute (Richland, WA) ORO
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. doi:. 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 = {Tue Mar 03 00:00:00 EST 2009},
month = {Tue Mar 03 00:00:00 EST 2009}
}

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