2,684
edits
2VB1: Difference between revisions
→XSCALE.LP main table
| Line 248: | Line 248: | ||
INCLUDE_RESOLUTION_RANGE=30 0.65 | INCLUDE_RESOLUTION_RANGE=30 0.65 | ||
=== XSCALE.LP | === XSCALE.LP tables === | ||
The error model is adjusted by XSCALE: | |||
a b ISa ISa0 INPUT DATA SET | |||
7.094E+00 1.294E-04 33.00 38.03 ../a/XDS_ASCII.HKL | |||
7.476E+00 1.170E-04 33.81 38.95 ../b/XDS_ASCII.HKL | |||
7.453E+00 1.598E-04 28.98 38.00 ../c/XDS_ASCII.HKL | |||
6.539E+00 1.640E-04 30.54 39.08 ../d/XDS_ASCII.HKL | |||
7.304E+00 1.342E-04 31.94 37.69 ../e/XDS_ASCII.HKL | |||
8.201E+00 1.574E-04 27.83 35.58 ../f/XDS_ASCII.HKL | |||
8.182E+00 1.759E-04 26.36 27.60 ../g/XDS_ASCII.HKL | |||
7.717E+00 3.694E-04 18.73 21.93 ../h/XDS_ASCII.HKL | |||
and there are about 1500 rejected reflections. | |||
SUBSET OF INTENSITY DATA WITH SIGNAL/NOISE >= -3.0 AS FUNCTION OF RESOLUTION | SUBSET OF INTENSITY DATA WITH SIGNAL/NOISE >= -3.0 AS FUNCTION OF RESOLUTION | ||
| Line 276: | Line 288: | ||
total 1435805 190032 191232 99.4% 3.1% 3.3% 1434290 33.42 3.3% 3.1% 3% 0.801 170264 | total 1435805 190032 191232 99.4% 3.1% 3.3% 1434290 33.42 3.3% 3.1% 3% 0.801 170264 | ||
If two more resolution shells are added, they look like - | |||
0.64 23276 7411 9155 81.0% 35.0% 40.6% 22324 2.90 41.7% 47.9% 3% 0.683 3204 | |||
0.63 18044 6488 9647 67.3% 42.2% 49.7% 16630 2.22 50.7% 60.9% -5% 0.643 2437 | |||
So there is still useful signal beyond 0.65 A. | |||
Remark: The first frames of sweeps g and h show a shadow in one corner of the detector. Nothing was done by me to exclude this shadow from processing (but one should do so if the resolution should be expanded beyond 0.65 A which the XSCALE statistics suggest to be possible). There is however no facility in XDS to exclude bad areas of specific frames in a dataset; one would need to chop the dataset into two parts. | Remark: The first frames of sweeps g and h show a shadow in one corner of the detector. Nothing was done by me to exclude this shadow from processing (but one should do so if the resolution should be expanded beyond 0.65 A which the XSCALE statistics suggest to be possible). There is however no facility in XDS to exclude bad areas of specific frames in a dataset; one would need to chop the dataset into two parts. | ||