Background
CXASAP is a software project designed to reduce the time required for analysis of serial crystallography experiments. Using a reference structure, it can refine, finalise and compare datasets with a range of temperatures and pressures.
Before you start
You will need CXASAP, and some other accompanying software, installed on your computer.
See CXASAP Windows Installation Instructions for instructions for installing on Windows.
See https://cx-asap.github.io/USER.html#installation for instructions for installing on Linux.
Pipeline-refinement
This pipeline will refine a series of datasets based on a single reference structure, which would likely be your ambient structure or the lowest pressure structure. Although if there is a phase change or significant changes in this structure, you may want to use a reference in the middle of the pressure series.
For the reference structure, you will need to:
Refine it to convergence
Label the atoms, especially those you are interested in throughout the series
DO NOT use the solvent mask or SQUEEZE. This will confuse CXASAP because it will look for a fab file. If your structure is porous, just refine it as best you can without SQUEEZE or a solvent mask. If you need to refine it with a solvent mask for publication, you will need to do it manually after you do the parallel refinement.
Place the ins, res, hkl and cif files in a folder together.