TY - JOUR
T1 - RawHummus
T2 - An R Shiny app for automated raw data quality control in metabolomics
AU - Dong, Yonghui
AU - Kazachkova, Yana
AU - Gou, Meng
AU - Morgan, Liat
AU - Wachsman, Tal
AU - Gazit, Ehud
AU - Birkler, Rune Isak Dupont
N1 - Publisher Copyright:
© 2022 The Author(s) 2022. Published by Oxford University Press. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.
PY - 2022/4/1
Y1 - 2022/4/1
N2 - Motivation: Robust and reproducible data is essential to ensure high-quality analytical results and is particularly important for large-scale metabolomics studies where detector sensitivity drifts, retention time and mass accuracy shifts frequently occur. Therefore, raw data need to be inspected before data processing to detect measurement bias and verify system consistency. Results: Here, we present RawHummus, an R Shiny app for an automated raw data quality control (QC) in metabolomics studies. It produces a comprehensive QC report, which contains interactive plots and tables, summary statistics and detailed explanations. The versatility and limitations of RawHummus are tested with 13 metabolomics/lipidomics datasets and 1 proteomics dataset obtained from 5 different liquid chromatography mass spectrometry platforms.
AB - Motivation: Robust and reproducible data is essential to ensure high-quality analytical results and is particularly important for large-scale metabolomics studies where detector sensitivity drifts, retention time and mass accuracy shifts frequently occur. Therefore, raw data need to be inspected before data processing to detect measurement bias and verify system consistency. Results: Here, we present RawHummus, an R Shiny app for an automated raw data quality control (QC) in metabolomics studies. It produces a comprehensive QC report, which contains interactive plots and tables, summary statistics and detailed explanations. The versatility and limitations of RawHummus are tested with 13 metabolomics/lipidomics datasets and 1 proteomics dataset obtained from 5 different liquid chromatography mass spectrometry platforms.
UR - http://www.scopus.com/inward/record.url?scp=85128417501&partnerID=8YFLogxK
U2 - 10.1093/bioinformatics/btac040
DO - 10.1093/bioinformatics/btac040
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C2 - 35080628
AN - SCOPUS:85128417501
SN - 1367-4803
VL - 38
SP - 2072
EP - 2074
JO - Bioinformatics
JF - Bioinformatics
IS - 7
ER -