Mass-Suite: a novel open-source python package for high-resolution mass spectrometry data analysis

Table 1 Overview of commonly used open-source software tools and their data analysis features for HRMS workflows

Features	Tools
Features	MSS	TidyMS	MZmine2	XCMS^*	MSDIAL	PatRoon
Language	Python	Python	Java	R	C#	R
Raw data preprocessing	√	√	√	√	√	√
QC-based batch correction	×	√	×	×	×	×
Quality reports	√	√	√	×	√	√
Normalization, imputation, scaling	√	√	√	×	√	√
Feature annotation	√	×	√	×	√	√
Isotope grouping	×	×	√	√	√	√
Interactive visualization plots	√	×	√	×	√	×
Clustering statistical analysis	√	×	×	×	×	×
Modeling tools	√	×	×	×	×	×

^*XCMS is supported by various R packages and primarily acts as a starting point for subsequent analyses on other platforms

ISSN: 1758-2946