Calib-RT: an open source python package for peptide retention time calibration in DIA mass spectrometry data.

ABSTRACT:

Motivation

The data independent acquisition (DIA) mass spectrometry (MS) method is increasingly popular in the field of proteomics. But the loss of the correspondence between peptide ions and their spectra in DIA makes the identification challenging. One effective approach to reduce false positive identification is to calculate the deviation between the peptide's estimated retention time (RT) and measured RT. During this process, scaling the spectral library RT into the estimated RT, known as the RT calibration, is a prerequisite for calculating the deviation. Currently, within the DIA algorithm ecosystem, there is a lack of engine-independent and readily usable RT calibration toolkits.

Results

In this work, we introduce Calib-RT, a RT calibration method tailored to the char

SUBMITTER: Zhang Y 

PROVIDER: S-EPMC11223842 | biostudies-literature | 2024 Jul

REPOSITORIES: biostudies-literature