MCnebula2: R package for analysis of non-targeted LC-MS/MS
Critical chemical classes to classify and boost identification by visualization for untargeted LC-MS/MS data analysis
Get StartedCritical chemical classes to classify and boost identification by visualization for untargeted LC-MS/MS data analysis
Get StartedImplemented in an object-oriented programming style, with all data stored in a single object (i.e. 'mcnebula')
Provides annotated instructions for each user-level Method and Function, with demo data and demo codes, and detailed descriptions in the necessary sections
Design presence of basic workflow modules (relatively fixed) and custom modules (flexible deployment in combination with other R code)
The object 'ggset' was designed to wrap our pre-defined visualization functions and parameters (these are all ggplot2 functions and parameters).
The 'filter_*' series is a filtering step for candidates of molecular formula, structural formula or chemical class; The '*stardust*' series filters out Critical chemical classes for visualization; 'backtrack_stardust' method for backtracking the filtered out chemical classes...
With a clean and bright color palette favored by various top magazines provided by the 'ggsci' package.