This document describes how to use xcms for the analysis of direct injection mass spec data, including peak detection, calibration and correspondence (grouping of peaks across samples). Prior to any other analysis step, peaks have to be identified in the mass spec data. In contrast to the typical metabolomics workflow, in which peaks are identified in the chromatographic (time) dimension, in direct injection mass spec data sets peaks are identified in the m/z dimension. xcms uses functionality from the MassSpecWavelet package to identify such peaks.
Experts Exchange always has the answer, or at the least points me in the correct direction! It is like having another employee that is extremely experienced.
When asked, what has been your best career decision?
Deciding to stick with EE.
Being involved with EE helped me to grow personally and professionally.
An Experts Exchange subscription includes unlimited access to online courses.Get Started
Connect with Certified Experts to gain insight and support on specific technology challenges including:
We've partnered with two important charities to provide clean water and computer science education to those who need it most. READ MORE