This is a custom adaptation of the original version of xMSannotator. It is a complete rewrite of the original functionality, following the same program structure.
Generalise functions for reading inputs to allow more formats (for example csv). Alternatively, export the preprocessing functions as_peak_table, as_compound_table, and as_adduct_table and handle this by external tools (e.g. within Galaxy).
Actually, the mentioned preprocessing functions are used in advanced_annotation, so there is no reason to export them. Therefore, files in any format can be read and passed to it.
Generalise functions for reading inputs to allow more formats (for example
csv
). Alternatively, export the preprocessing functionsas_peak_table
,as_compound_table
, andas_adduct_table
and handle this by external tools (e.g. within Galaxy).