Updated Thaumatin tutorial data set for DIALS
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https://zenodo.org/record/4916648
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资源简介:
Data recorded as part of routine commissioning at Diamond Light Source beamline i03 from a thaumatin standard protein sample. Automated processing with xia2 gives:
For AUTOMATIC/DEFAULT/NATIVE Overall Low High
High resolution limit 1.63 4.42 1.63
Low resolution limit 54.20 54.23 1.66
Completeness 91.4 98.1 52.3
Multiplicity 3.2 3.4 1.6
I/sigma 12.4 49.2 0.3
Rmerge(I) 0.070 0.031 1.075
Rmerge(I+/-) 0.063 0.027 0.922
Rmeas(I) 0.081 0.036 1.362
Rmeas(I+/-) 0.080 0.034 1.247
Rpim(I) 0.040 0.018 0.817
Rpim(I+/-) 0.048 0.021 0.833
CC half 0.998 0.998 0.392
Wilson B factor 21.110
Anomalous completeness 69.7 91.3 17.6
Anomalous multiplicity 1.9 2.1 1.2
Anomalous correlation -0.025 0.345 -0.308
Anomalous slope 0.915
dF/F 0.086
dI/s(dI) 0.903
Total observations 95615 6183 1370
Total unique 30248 1818 850
Assuming spacegroup: P 41 21 2
Unit cell (with estimated std devs):
58.1046(2) 58.1046(2) 150.4201(7)
90.0 90.0 90.0
Data consist of 500 x 0.1° rotation images recorded on an Eiger 2XE 16M detector with a 2ms exposure time (i.e. a total of 1s of exposure time for the full data set). Data are deliberately small to facilitate quick processing while being relatively complete thanks to the high symmetry of the sample, and are properly recorded i.e. finely sliced.
创建时间:
2021-06-10



