Extended Quality Control for Biocrates' Targeted Metabolomics Kits
poster
posted on 2019-06-19, 11:49 authored by Mathias KuhringMathias Kuhring, Alina Eisenberger, Raphaela Fritsche, Yoann GloaguenYoann Gloaguen, Dieter Beule, Jennifer KirwanOpen source code will be published soon!
Targeted mass spectrometry profiling methods optimized and validated for defined metabolites enable comprehensive routine metabolomics applications such as the analysis of larger cohorts. However, comprehensive studies require consistent processing and reliable instrumentation to minimize technical variance and interference. Consequently, multiple and reproducible controls are required to verify data quality.
While standardized methods such as the Targeted Metabolomics Kits of Biocrates promise consistent and comparable measurements, they are not fully resistant to external influences. These include sample handling and processing errors, contamination, sample carryover, batch effects, intra-batch drift, edge effects, missing values of unknown origin and instrument condition.
Here, we present an extensive quality control procedure for targeted data acquired using Biocrates kits designed to be complementary to the Biocrates MetIDQ software. Based on MetIDQ outputs, it combines several visualizations into a comprehensive HTML report using an R Notebook. These include, for instance, visualizations of measured and missing values, of positional irregularities with respect to acquisition sequence or well plate coordinates as well as of sample and metabolite variability and reproducibility.
