Warning

Current file format requirements are based on what we use in lab. In the future, we will add support for other common file formats.

Data requirements

Data for each analysis should be provided as a folder of text files, where each text file corresponds to an individual mass spectrum.

Each text file should be named according to the following convention to ensure proper parsing: [year]_[month]_[day]_[run#]_[chip#]_[well]_[replicate].txt \ i.e. 2025_12_06_0001_0_E1_1.txt

Where [chip#] refers to the 'chip' on a Bruker MALDI target (0 for regular positions, 1 for calibrant spots) and [well] refers to the position on the target (i.e. A1, G12, L23, etc).

The data inside the text file should be two columns without headers (m/z and intensity), separated by a single space:

i.e.

...
3199.09 61672
3199.43 64551
3199.77 67041
3200.11 69142
3200.46 70855
3200.80 72179
3201.14 73115
3201.48 73662
...

See /data for example files.

Inspiration

https://codeberg.org/sgibb/MALDIquantForeign