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File formats

specML is capable of opening several file formats out-of-the box. Currently accepted formats include:

• Waters (.raw) files from either DESI or MALDI experiments
• Waters (.txt) files from HDImaging post-processing
• Open-source (.imzML) files

imzML format

The imzML file can be in either 2D (nx, ny, 1) or 3D (nx, ny, nz) format. By default, specML will read the first z-index and allow you to read the remaining later on.

At the moment specML will load all data files in a rectangular format, meaning that pixels that have not really been recorded will be populated with 0's.