dta refinery Reduces mass measurement errors for parent ions of tandem MS/MS data
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dta refinery Tags

polyatomic ions peptide nagative ions metastable ions mass measurement error parent ion measurement mass measurement parent ion tandem duplication find Nested Tandem Repeats simulate ions separation analyze ions separation ions separation analysis

dta refinery Description

dta refinery is a powerful application designed to minimize mass measurement errors for parent ions by modeling systematic errors based on putative peptide identifications. This information is used to subtract out errors from parent ion protonated masses. The software reads concatenated dta files. As an output, dta refinery produces a concatenated dta file, but with corrected protonated parent ion mass values. Optionally it can output a mass error distribution histogram with the estimates of mean and standard deviation of parent ion mass measurements, along with scatterplots showing original and final dependencies of mass measurement errors on parameters like scan number, m/z, ion intensity and total ion current. Modeling of the systematic mass measurement error is based on robust non-parametric regression analysis of dependecy of error residuals on multiple parameters, including scan number, m/z, ion intensity, and total ion current.

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