This is the dataset for the 2022 LCLS user meeting workshop, "Applications for small-molecule Serial Femtosecond Diffraction in Materials Science and Chemistry" For full details, please refer to the full set of data processing instructions here: https://docs.google.com/document/d/1UNz3zTATIak5UkVGIli0W3HjHZr9orBiWp4nt12AzOQ Reminder: 4-fluoro is an unpublished dataset. For use outside of the workshop, please contact the workshop organizers. The dataset contains these folders: calibration: calibration constants needed for indexing r0215.expt: refined geometry file for the JF4M detector psana_border_hot_shift4.mask: untrusted pixel mask spotfinding: r0165_strong.expt, r0165_strong.refl: spotfinding results for run 165 4fluoro_peaks.txt: a list of 20 peaks harvested from the spotfinder powder pattern. ten_cbfs: 10 cbf files of 4-fluoro, created from LCLS experiment LY65, run 164. indexing: working folder for indexing the 10 cbfs. Contains params_1.phil file, the indexing parameters for cctbx.small_cell_process merging: data folders, one per run, with integrated.expt and integrated.refl files mark1.phil and mark0.phil: phil parameters for merging refinement: 4fluoro_final.res 4fluoro.hkl 4fluoro_solved1.res 4fluoro_solved2.res 4fluoro_start.ins, input and output files for solving and refining the 4fluoro structure

{"references": ["Related paper: Schriber EA, Paley DW, et. al. (2022): Chemical crystallography by serial femtosecond X-ray diffraction. Nature 601, 360-365"]}