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MINIMUM ZETA: Difference between revisions
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== Examples == | == Examples == | ||
Using the default value of MINIMUM_ZETA= 0.15, one obtains in CORRECT.LP: | |||
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 | |||
6.78 76993 19828 19942 99.4% 3.5% 4.8% 76973 23.88 4.1% 3.0% -10% 0.599 9080 | |||
4.81 138283 35547 35595 99.9% 7.5% 7.5% 138249 15.56 8.7% 6.8% -4% 0.792 16881 | |||
3.94 177582 45838 45943 99.8% 8.7% 8.3% 177446 13.94 10.1% 8.4% -2% 0.825 21918 | |||
3.41 203352 54169 54469 99.4% 16.9% 16.0% 203075 7.93 19.8% 19.6% 9% 0.898 25847 | |||
3.05 228865 61477 61637 99.7% 33.9% 34.4% 228019 4.08 39.6% 43.5% 1% 0.805 29056 | |||
2.79 240279 67660 68124 99.3% 58.4% 61.1% 237748 2.33 68.8% 77.3% 2% 0.770 30609 | |||
2.58 241037 72697 74116 98.1% 99.3% 100.1% 235667 1.42 118.4% 128.7% 6% 0.803 30621 | |||
2.42 237676 77079 79650 96.8% 121.2% 129.7% 228955 0.98 145.8% 170.6% 2% 0.722 30204 | |||
2.28 173189 71762 84696 84.7% 135.7% 148.8% 156159 0.71 170.1% 220.0% 2% 0.708 21582 | |||
total 1717256 506057 524172 96.5% 18.8% 19.3% 1682291 5.40 22.2% 43.2% 2% 0.782 215798 | |||
and rf.pck generated by XDSSTAT looks like: | |||
[[Image:zeta-0.15.png]] | [[Image:zeta-0.15.png]] | ||
However with MIMUM_ZETA=0.1 the R-factors and completenesses get a bit better: | |||
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 | |||
6.78 77465 19824 19942 99.4% 3.5% 4.8% 77445 23.89 4.1% 3.0% -7% 0.600 9078 | |||
4.81 139162 35560 35598 99.9% 7.5% 7.5% 139162 15.62 8.7% 6.7% -4% 0.794 16926 | |||
3.94 178677 45842 45940 99.8% 8.7% 8.3% 178652 14.00 10.1% 8.3% -2% 0.829 22029 | |||
3.41 204689 54186 54467 99.5% 16.8% 15.9% 204526 7.99 19.6% 19.6% 9% 0.899 25971 | |||
3.05 230193 61486 61641 99.7% 33.7% 34.2% 229403 4.13 39.4% 43.5% 1% 0.807 29119 | |||
2.79 241535 67657 68124 99.3% 58.1% 60.7% 239037 2.36 68.3% 77.2% 2% 0.771 30638 | |||
2.58 242127 72709 74118 98.1% 98.2% 99.1% 236782 1.44 117.0% 128.0% 6% 0.800 30656 | |||
2.42 238367 77083 79650 96.8% 120.9% 129.4% 229693 0.99 145.4% 171.2% 2% 0.723 30257 | |||
2.28 173359 71759 84698 84.7% 135.4% 148.5% 156346 0.71 169.7% 219.9% 2% 0.705 21596 | |||
total 1725574 506106 524178 96.6% 18.6% 19.2% 1691046 5.43 22.0% 43.1% 2% 0.783 216270 | |||
and the cones along the spindle are narrower: | |||
[[Image:zeta-0.1.png]] | [[Image:zeta-0.1.png]] | ||
Finally, with MINIMUM_ZETA=0.01 the statistics get even better: | |||
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 | |||
6.78 77625 19826 19942 99.4% 3.6% 4.8% 77605 23.77 4.1% 2.9% -11% 0.596 9077 | |||
4.81 139571 35562 35598 99.9% 7.5% 7.5% 139571 15.60 8.7% 6.7% -4% 0.794 16927 | |||
3.94 179276 45840 45942 99.8% 8.7% 8.3% 179269 14.00 10.1% 8.3% -2% 0.834 22034 | |||
3.41 205281 54202 54465 99.5% 16.7% 15.9% 205131 8.01 19.6% 19.5% 10% 0.903 25999 | |||
3.05 230671 61495 61643 99.8% 33.5% 34.0% 229887 4.14 39.2% 43.6% 1% 0.806 29133 | |||
2.79 241775 67657 68124 99.3% 57.9% 60.5% 239277 2.36 68.1% 77.0% 2% 0.770 30639 | |||
2.58 242190 72705 74122 98.1% 98.3% 99.0% 236846 1.43 117.1% 128.6% 7% 0.803 30649 | |||
2.42 238428 77085 79650 96.8% 120.7% 129.1% 229754 0.99 145.1% 171.0% 2% 0.722 30257 | |||
2.28 173335 71749 84693 84.7% 135.3% 148.3% 156322 0.71 169.5% 218.7% 3% 0.706 21590 | |||
total 1728152 506121 524179 96.6% 18.6% 19.2% 1693662 5.43 22.0% 43.1% 3% 0.784 216305 | |||
and there are few reflections missing in the blind region: | |||
[[Image:zeta-0.01.png]] | [[Image:zeta-0.01.png]] | ||