Skip to main content

CrystalPlan: an Experiment Planning Tool for Crystallography...

by Janik L Zikovsky, Peter F Peterson, Xiaoping Wang, Matthew J Frost, Christina M Hoffmann
Publication Type
Journal Name
Journal of Applied Crystallography
Publication Date
Page Numbers
418 to 423

Beam time at large user program based x-ray and neutron scattering facilities is in high demand and always at a premium. CrystalPlan, a highly efficient experiment planning software has been developed to maximize the use of available beamtime per sample per experiment. This program can calculate and optimize the data coverage of a crystal in reciprocal space in a single-crystal diffraction time-of- flight experiment. CrystalPlan can help a user build an experiment plan that will acquire the most data possible, with sufficient coverage but limited redundancy, therefore increasing scientific productivity. A user friendly GUI including a 3D viewer, an automated coverage optimizer, and an option to reorient the crystal for the measurement of selected hkls on specific detector positions are among its useful features. A sample use case of the program with the TOPAZ beamline at SNS will be presented.