Table 2. Average R merge values for processing of 38 sweeps of diffraction data with XDS following five protocols, each normalized to the value corresponding to generate_XDS.INP .
Clearly, all protocols are reliable and offer only small differences in the accuracy of the measured intensities, although the recycling of the reflection-profile parameters gave a measurable improvement.
Integration protocol | R/R recommended | Success | Failure |
---|---|---|---|
(1) generate_XDS.INP | 1.00 | 38 | 0 |
(2) + lattice constraints | 1.00 | 38 | 0 |
(3) + recycle GXPARM | 1.00 | 38 | 0 |
(4) + recycle profile parameters | 0.98 | 38 | 0 |
(5) + recycle all corrections including detector distortions | 1.02 | 38 | 0 |