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.
Improving the quality of diamond anvil cell data collected on an area detector by shading individual diamond overlaps / N. CASATI , P. MACCHI, A. SIRONI. - In: JOURNAL OF APPLIED CRYSTALLOGRAPHY. - ISSN 0021-8898. - 40:3(2007), pp. 628-630.
Improving the quality of diamond anvil cell data collected on an area detector by shading individual diamond overlaps
N. CASATIPrimo
;P. MACCHISecondo
;A. SIRONIUltimo
2007
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.Pubblicazioni consigliate
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