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

SYNCHROTRON SCIENCE AND TECHNOLOGY

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

TAO Shixing
ZHU Jing
NIU Jing
CHEN Mingzhi
LIU Ke
WANG Yu
WANG Qisheng
SUN Bo
HUANG Sheng
TANG Lin
HE Jianhua
Nuclear Science and TechniquesVol.21, No.6pp.321-324Published in print 20 Dec 2010
31300

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 LaB6(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.

X-rayEnergy calibrationPowder diffractionBeamline
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