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== SAD/MAD data reduction == | == SAD/MAD data reduction == | ||
Run CORRECT twice, with STRICT_ABSORPTION_CORRECTION=TRUE and STRICT_ABSORPTION_CORRECTION=FALSE. I find that the anomalous signal in SeMet-SAD/MAD is significantly enhanced with STRICT_ABSORPTION_CORRECTION=TRUE (which used to be the default in older versions but ''currently is not the default''). | Run CORRECT twice, with STRICT_ABSORPTION_CORRECTION=TRUE and STRICT_ABSORPTION_CORRECTION=FALSE, and compare the results. I find that the anomalous signal in SeMet-SAD/MAD is significantly enhanced in the "Anomal Corr" and the "SigAno" disciplines with STRICT_ABSORPTION_CORRECTION=TRUE (which used to be the default in older versions but ''currently is not the default''). | ||
Example: 269 frames, 0.5°/frame, F222; STRICT_ABSORPTION_CORRECTION=TRUE | |||
SUBSET OF INTENSITY DATA WITH SIGNAL/NOISE >= -3.0 AS FUNCTION OF RESOLUTION | |||
RESOLUTION NUMBER OF REFLECTIONS COMPLETENESS R-FACTOR R-FACTOR COMPARED I/SIGMA R-meas Rmrgd-F Anomal SigAno Nano | |||
LIMIT OBSERVED UNIQUE POSSIBLE OF DATA observed expected Corr | |||
9.24 14085 4860 5073 95.8% 2.9% 3.5% 13978 26.78 3.7% 2.8% 66% 1.623 2115 | |||
6.59 24901 8560 8869 96.5% 4.6% 4.6% 24757 19.46 5.7% 5.5% 46% 1.356 3880 | |||
5.40 32411 11152 11422 97.6% 6.8% 6.6% 32194 14.14 8.4% 9.2% 28% 1.085 5121 | |||
4.68 37640 13022 13499 96.5% 6.7% 6.4% 37340 13.99 8.4% 10.0% 21% 1.017 5924 | |||
4.19 42764 14793 15307 96.6% 7.7% 7.2% 42425 12.59 9.5% 11.9% 19% 1.021 6746 | |||
3.83 48129 16600 16938 98.0% 11.4% 11.2% 47750 8.99 14.1% 18.6% 13% 0.914 7648 | |||
3.55 52640 18097 18333 98.7% 15.8% 16.1% 52229 6.61 19.5% 26.9% 10% 0.840 8384 | |||
3.32 56093 19557 19723 99.2% 24.3% 25.5% 55490 4.41 30.0% 42.9% 8% 0.781 8941 | |||
3.13 37869 18334 21008 87.3% 33.9% 36.3% 32035 2.33 43.6% 69.9% 6% 0.741 5214 | |||
total 346532 124975 130172 96.0% 9.5% 9.6% 338198 9.77 11.8% 18.8% 21% 0.964 53973 | |||
STRICT_ABSORPTION_CORRECTION=FALSE (default since Version May 8, 2007): | |||
SUBSET OF INTENSITY DATA WITH SIGNAL/NOISE >= -3.0 AS FUNCTION OF RESOLUTION | |||
RESOLUTION NUMBER OF REFLECTIONS COMPLETENESS R-FACTOR R-FACTOR COMPARED I/SIGMA R-meas Rmrgd-F Anomal SigAno Nano | |||
LIMIT OBSERVED UNIQUE POSSIBLE OF DATA observed expected Corr | |||
9.24 14082 4858 5073 95.8% 3.0% 3.6% 13975 26.06 3.7% 2.9% 63% 1.530 2115 | |||
6.59 24893 8554 8869 96.4% 4.7% 4.7% 24749 19.08 5.8% 5.6% 42% 1.287 3876 | |||
5.40 32407 11147 11422 97.6% 6.8% 6.7% 32190 13.93 8.4% 9.2% 25% 1.035 5118 | |||
4.68 37631 13016 13499 96.4% 6.8% 6.5% 37331 13.76 8.5% 10.1% 16% 0.946 5915 | |||
4.19 42726 14775 15307 96.5% 7.8% 7.3% 42387 12.40 9.7% 12.1% 9% 0.889 6733 | |||
3.83 48125 16600 16938 98.0% 11.4% 11.2% 47746 8.89 14.2% 18.5% 3% 0.813 7646 | |||
3.55 52642 18095 18333 98.7% 15.8% 16.1% 52231 6.55 19.5% 26.7% 4% 0.773 8383 | |||
3.32 56102 19563 19723 99.2% 24.3% 25.6% 55499 4.39 30.1% 42.9% 3% 0.743 8943 | |||
3.13 37830 18318 21008 87.2% 34.9% 37.0% 31996 2.32 45.0% 70.5% 2% 0.709 5206 | |||
total 346438 124926 130172 96.0% 9.6% 9.7% 338104 9.62 11.9% 18.8% 15% 0.892 53935 | |||