- This deposition contains experimental data collected at NCI station of PAL-XFEL. The experimental details are described in Park, J.-H.; Yun, J.-H.; Shi, Y.; Han, J.; Li, X.; Jin, Z.; Kim, T.; Park, J.; Park, S.; Liu, H.; Lee, W., Non-Cryogenic Structure and Dynamics of HIV-1 Integrase Catalytic Core Domain by X-ray Free-Electron Lasers. International Journal of Molecular Sciences 2019, 20, (8), 1943. - Each folder contains serveral CXI files after hit-finding. The hit-finding process are done using ClickX software (https://lixx11.github.io/ClickX) with parameters below: ''' adu per photon: 20 background inner radius: 2 background outer radius: 3 background ratio: 0.7 bin size: 4 center: - 720 - 720 crop size: 7 dataset: ts-data-PAL epsilon: 1.0e-05 gaussian filter sigma: 1.0 hit finder: snr model mask file: /xfel/ffhs/dat/ue_181014_SFX/proc/Click/mask/r0010-neab-sigma-bs.npy mask on: true max peaks: 500 max pixels: 15 merge flat peaks: false min distance: 10 min gradient: 10.0 min peaks: 20 min pixels: 2 min snr: 6.0 peak refine mode: gradient signal radius: 1 signal ratio: 0.2 signal threshold: 5.0 snr mode: adaptive ''' - The indexing and merge commands of CrystFEL software are as below: ''' indexamajig -i $WORK_DIR/$i-events.lst -g $GEOM -p $CELL --indexing=mosflm,mosflm-nolatt,dirax --peaks=cxi -o $WORK_DIR/${i}.stream -j 24 ambigator ccd.stream --operator=-h,-k,l -j 24 -o ccd-detwin1.stream ambigator ccd-detwin1.stream --operator=-k,-h,-l -j 24 -o ccd-detwin2.stream process_hkl -i ccd-detwin2.stream -o ccd.hkl -y 321_H --scale --max-adu=60000 '''