Crystallographic data collected on a CCD using a diamond anvil cell may present overlapping diamond and sample reflections. These false intensities may not be rejected by common data processing programs and may affect the final hkl list. A utility was developed that shades these reflections during the integration, enabling their elimination before the solution or refinement. Moreover, this procedure avoids the error propagation to other reflections, caused by overlapping spots, through the profile fitting procedure of an integration run. © International Union of Crystallography 2007.
Improving the quality of diamond anvil cell data collected on an area detector by shading individual diamond overlaps
Macchi, P.;
2007-01-01
Abstract
Crystallographic data collected on a CCD using a diamond anvil cell may present overlapping diamond and sample reflections. These false intensities may not be rejected by common data processing programs and may affect the final hkl list. A utility was developed that shades these reflections during the integration, enabling their elimination before the solution or refinement. Moreover, this procedure avoids the error propagation to other reflections, caused by overlapping spots, through the profile fitting procedure of an integration run. © International Union of Crystallography 2007.File in questo prodotto:
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