Speeding up Percolator.

Speeding up Percolator.

Halloran, John T;Zhang, Hantian;Kara, Kaan;Renggli, Cedric;The, Matthew;Zhang, Ce;Rocke, David M;Käll, Lukas;Noble, William Stafford;
journal of proteome research 2019
214
halloran2019speedingjournal

Abstract

The processing of peptide tandem mass spectrometry data involves matching observed spectra against a sequence database. The ranking and calibration of these peptide-spectrum matches can be improved substantially by using a machine learning post-processor. Here, we describe our efforts to speed up one widely used post-processor, Percolator. The improved software is dramatically faster than the previous version of Percolator, even when using relatively few processors. We tested the new version of Percolator on a data set containing over 215 million spectra and recorded an overall reduction to 23% of the running-time as compared to the unoptimized code. We also show that the memory footprint required by these speedups is modest relative to that of the original version of Percolator.

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5013
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10.1021/acs.jproteome.9b00288
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