In-situ energy calibration of SSRF macromolecular crystallography beamline using powder diffraction

摘要

For X-ray powder diffraction spectra collected by an area detector of MarCCD on macromolecular crystallography beamline of SSRF,an energy calibration method was developed using LaB_6(660a) powder diffraction for in-situ rapid energy calibration of the X-rays without changing the experimental conditions.The intensity of each diffraction ring was integrated,and the accurate peak positions were fitted by Pseudo-Voigt function model.The sample's interplanar spacing for XRD analysis and the calibrated energy were obtained by the PCPDFWIN code and by fitting all the energies with the least-square method.The exposure time and the sample-to-detector distance were found no effect on accuracy of the energy calibration,and the in-situ energy calibration could be done with an accuracy of better than 0.4‰in 7-18 keV.This method is applicable to other X-ray beamlines.