RawHummus - Raw Data Quality Control Tool for LC-MS System
Assess LC–MS system performance by visualizing instrument log files and monitoring raw quality control samples within a project.
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lcmsmetabolomicsorbitrapquality-control
3.40 score 5 stars 2 scripts 224 downloadsMSbox - Mass Spectrometry Tools
Common mass spectrometry tools described in John Roboz (2013) <doi:10.1201/b15436>. It allows checking element isotopes, calculating (isotope labelled) exact monoisitopic mass, m/z values and mass accuracy, and inspecting possible contaminant mass peaks, examining possible adducts in electrospray ionization (ESI) and matrix-assisted laser desorption ionization (MALDI) ion sources.
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chemoinformaticsmass-spectrometrymetabolitesmetabolomics
2.74 score 1 stars 11 scripts 230 downloadsCCWeights - Perform Weighted Linear Regression for Calibration Curve
Automated assessment and selection of weighting factors for accurate quantification using linear calibration curve. In addition, a 'shiny' App is provided, allowing users to analyze their data using an interactive graphical user interface, without any programming requirements.
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analytical-chemistrycalibration-curves
2.70 score 275 downloads