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In addition to these selection criteria, deviations from the target unit-cell dimensions (specified as a fraction of each dimension) can also be used in the merging step so that only diffraction patterns with acceptable unit-cell dimension values are included in the merged reflection set.
Finally, the program exits and outputs the latest merged reflection set either when the macrocycles converge or when a user-specified maximum number of cycles has been reached.
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The analysis demonstrated that the unit cell parameters of a high-P phase can be well constrained from enough merged reflections of several grains that have different orientations in a quasi-hydrostatic sample environment.
Multigrain XRD overcomes this problem by merging enough reflections from several grains that have random orientations to determine the unit cell parameters of each phase (Zhang et al. 2016).
Crystal orientation and integration of reflexions were performed with MOSFLM [72] and scaling and merging of reflections with SCALA and TRUNCATE [73].
The unit cell parameters of (Mg,Fe SiO3 ppv at each sample position were determined from ~150 reflections merged from several grains, as shown in Table 2 and Fig. 2a.
A total of 150 180 reflections were merged from the five or six grains in each group and the unit cell parameters were refined from these reflections using UNITCELL (Holland and Redfern 1997), as shown in Table 1.
Some of the best moments in the documentary come when the still-dramatic images of Cernan's missions are merged with his evocative reflections.
In theory, SHELXT could also have been programmed to determine the Laue group, e.g. by calculating the R values or correlation coefficients when the equivalent reflections are merged.
The resulting songs merged perky, pointillistic arrangements with reflections on loneliness, mortality and science.
The observed reflections were reduced, merged and scaled with DENZO and SCALEPACK in the HKL2000 package.
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CEO of Professional Science Editing for Scientists @ prosciediting.com