Required data

The below list should contain all the information which is necessary to reconstruct reciprocacal space volume data for typical use cases. The aim is to collect enough information to capture a reasonably general use case. Not all of the individual use cases may require all of the information below. For example, a fixed detector setup will simply have an empty sequence of detector rotations, and an amorphous sample does not make use of the orientation matrix as there are no defined hkl-directions.

Some of the information is static, meaning it never changes for a given experimental setup (e.g.: sequence of instrument rotations, pixel size for a given detector), while other data is changing only occasionally (center pixel coordinate should be static unless the detector is remounted). Many parameters may vary from scan to scan or from sample to sample (UB matrix), while most data will potentially change with every scan point (instrument rotation angles, wavelength,

Source

Instrument

Sample

Detector

Helpful data

Notes