Before you start
Read the CXASAP background and basics page.
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See https://cx-asap.github.io/USER.html#installation for instructions for installing on Linux.
Running CXASAP
CXASAP runs via a terminal, where you will input instructions about the module or pipeline you want to run.
After it is installed, if you open a terminal, activate the virtual environment and run this command:
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cxasap |
Read the output in the terminal and it will guide you how to run the code.
Step 1. 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. If you don't think refining your datasets based on a single reference structure will be helpful, you can skip to Step 2: pipeline-cifvariable-analysis
Setup datasets
For the reference structure, you will need to:
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