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pmid:34323970

Improved identification and quantification of peptides in mass spectrometry data via chemical and random additive noise elimination (CRANE).

Akila J Seneviratne · Sean Peters · David Clarke · Michael Dausmann · Michael Hecker · Brett Tully · Peter G Hains · Qing Zhong

Bioinformatics (Oxford, England) · 2021 doi:10.1093/bioinformatics/btab563

Paper

complete

Experiment

complete

Data

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Improved identification and quantification of peptides in mass spectrometry data via chemical and random additive noise elimination (CRANE).
doi
10.1093/bioinformatics/btab563
pmid
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Akila J Seneviratne
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Sean Peters
[2]
David Clarke
[3]
Michael Dausmann
[4]
Michael Hecker
[5]
Brett Tully
[6]
Peter G Hains
[7]
Qing Zhong
journal
Bioinformatics (Oxford, England)
year
2021
abstract
MOTIVATION: The output of electrospray ionization-liquid chromatography mass spectrometry (ESI-LC-MS) is influenced by multiple sources of noise and major contributors can be broadly categorized as baseline, random and chemical noise. Noise has a negative impact on the identification and quantification of peptides, which influences the reliability and reproducibility of MS-based proteomics data. Most attempts at denoising have been made on either spectra or chromatograms independently, thus, important 2D information is lost because the mass-to-charge ratio and retention time dimensions are not considered jointly. RESULTS: This article presents a novel technique for denoising raw ESI-LC-MS data via 2D undecimated wavelet transform, which is applied to proteomics data acquired by data-independent acquisition MS (DIA-MS). We demonstrate that denoising DIA-MS data results in the improvement of peptide identification and quantification in complex biological samples. AVAILABILITY AND IMPLEMENTATION: The software is available on Github (https://github.com/CMRI-ProCan/CRANE). The datasets were obtained from ProteomeXchange (Identifiers-PXD002952 and PXD008651). Preliminary data and intermediate files are available via ProteomeXchange (Identifiers-PXD020529 and PXD025103). SUPPLEMENTARY INFORMATION: Supplementary data are available at Bioinformatics online.
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