2009
DOI: 10.1093/bioinformatics/btp052
|View full text |Cite
|
Sign up to set email alerts
|

Retention time alignment algorithms for LC/MS data must consider non-linear shifts

Abstract: Supplementary data are available at Bioinformatics online.

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...
2
1
1
1

Citation Types

0
70
0
1

Year Published

2009
2009
2024
2024

Publication Types

Select...
6
2
1

Relationship

0
9

Authors

Journals

citations
Cited by 85 publications
(71 citation statements)
references
References 16 publications
0
70
0
1
Order By: Relevance
“…Retention time information for peptide identifications was extracted from SQT files corresponding to any peptide observed with a q-value Յ 0.01 across sample sets. Sample sets were aligned using an iterative strategy fitting a straight line through peptide retention time features (25) across sample sets until a Pearson score of R 2 Ͼ 0.99 was achieved. XIC areas for peptide MS1 spectra were integrated at mass tolerances of 20 ppm using retention time windows of Ϯ5.0 min surrounding initial peptide identification events.…”
Section: Preparation Of a Dilution Series Of Bovine Peptide Standard Inmentioning
confidence: 99%
“…Retention time information for peptide identifications was extracted from SQT files corresponding to any peptide observed with a q-value Յ 0.01 across sample sets. Sample sets were aligned using an iterative strategy fitting a straight line through peptide retention time features (25) across sample sets until a Pearson score of R 2 Ͼ 0.99 was achieved. XIC areas for peptide MS1 spectra were integrated at mass tolerances of 20 ppm using retention time windows of Ϯ5.0 min surrounding initial peptide identification events.…”
Section: Preparation Of a Dilution Series Of Bovine Peptide Standard Inmentioning
confidence: 99%
“…This could introduce an important amount of missed matches into the analysis using files containing very different samples as seen in (5). Furthermore, the default settings for the run OpenMS alignment module applies a linear retention time correction model, which may fail to correctly compensate for the retention time differences (36).…”
Section: Resultsmentioning
confidence: 99%
“…This alignment algorithm effectively divides a chromatogram into hundreds of small time windows, within which all [17]. The divide-and-conquer algorithm shown here applies to retention time shift profiles of any shapes.…”
Section: Methodsmentioning
confidence: 99%