Pre-created mzML file sets

Below are a series of mzML file sets that we have created for initial exploration. Each set has been created from a Prosit library generated for peptide ions identified by analysis of 100 ng of a HeLa cell protein digest on a Thermo Eclipse platgorm. All download packages contain YAML files with procesing parameters and target CSV files so that analyses can be reproduced. The source files used in this analysis can be downloaded from the resources page.

DIA isolation window width survey

A Prosit library containing 35,768 peptide precursor ions simulated with a range of DIA isolation window widths beginning at 2 Th and ending at 30 Th in steps of 4 Th.

File size: 728.86 MB

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Chromatographic gradient length survey

A Prosit library containing 35,768 peptide precursor ions simulated with a range of chromatographic gradient lengths beginning at 5 minutes and ending at 125 minutes in steps of 10 minutes.

File size: 1.66 GB

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Chromatographic peak_width_survey

A Prosit library containing 35,768 peptide precursor ions simulated with a range of chromatographic peak widths starting from FWHM = 0.1 seconds to FWHM = 10 seconds in 1 second steps.

File size: 1.65 GB

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Single mzML file

A Prosit library containing 35,768 peptide precursor ions simulated on a 2 hour gradient

File size: 136.52 MB

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Staggered DIA windows

A Prosit library containing 35,768 peptide precursor ions simulated with either repeating or offset DIA windows in sequential cycles. In each case, windows are 8 Th and, for the offset case, are staggered by 4 Th.

File size: 89.97 MB

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Two-group (4v4) quantitation

A Prosit library containing 35,768 peptide precursor ions simulated as a two-group analysis with 4 replicates per group. The Gaussian distribution of the group differences had stdev = 1 and the within-group stdev was 0.2.

File size: 912.97 MB

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