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.
RawHummus is an R Shiny app designed 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.
If you are using Thermo Q-Exactive series instrument, RawHummus also
allows visualizing the log files (they are usually stored at
C:\Xcalibur\system\Exactive\log folder), which contains
over 40 different instrument metrics, such as ambient temperature and
ambient humidity.
You need to have R and optionally RStudio Installed. You can download them from this link.
Next you can run this code to install RawHummus.
install.packages('RawHummus')Once RawHummus is installed. You can run the following code to start the web app.
library(RawHummus)
run_app()Figure 1. Overview of the main functions in RawHummus