Ouro will include this file with the request
How many generation attempts to try. Must be between 1 and 4.
Upper Q bound kept from the PXRD pattern. Must be between 0.1 and 12.
Lower Q bound kept from the PXRD pattern. Must be between 0 and 10.
Space group prompt, for example Fm-3m
Chemical formula prompt, for example Ce1O2
Sampling randomness during generation. Must be between 0.1 and 2.
Maximum length of the generated CIF. Must be between 512 and 4096.
No compatible actions for routes yet
Accepts an .xy/.xye file and runs deCIFer to predict a CIF file.
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High-level guide for using deCIFer in Ouro, with embedded starter PXRD example files.