For non-LC-MS/MS data (direct infusion, MS Profile, and TIM) the data are organized as follows:

1) In the GRITS project annotation folder, a single archive (.zip) is created that contains all files:

a) data.xml, dataHeader.xml, settings.xml and xml file for all scans in the project.

• Note that the first MS1 scan xml file (e.g. 1.xml) is the MS1 "overview" file containing all precursor peaks
• For TIM data (no MS1 scan) an phony (simulated) MS1 "overview" file is created (0.xml)