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11258 1: Difference between revisions
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observed = (SUM(ABS(I(h,i)-I(h))))/(SUM(I(h,i))) | observed = (SUM(ABS(I(h,i)-I(h))))/(SUM(I(h,i))) | ||
expected = expected R-FACTOR derived from Sigma(I) | expected = expected R-FACTOR derived from Sigma(I) | ||
NUMBER = number of reflections in resolution shell | NUMBER = number of reflections in resolution shell | ||
used for calculation of R-FACTOR | used for calculation of R-FACTOR | ||
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recognized by comparison with symmetry-related | recognized by comparison with symmetry-related | ||
reflections. | reflections. | ||
RESOLUTION RANGE I/Sigma Chi^2 R-FACTOR R-FACTOR NUMBER ACCEPTED REJECTED | RESOLUTION RANGE I/Sigma Chi^2 R-FACTOR R-FACTOR NUMBER ACCEPTED REJECTED | ||
observed expected | observed expected | ||
44.070 23.690 39.35 1.02 1.40 1.45 103 108 7 | 44.070 23.690 39.35 1.02 1.40 1.45 103 108 7 | ||
23.690 18.111 33.95 0.97 1.48 1.61 192 195 1 | 23.690 18.111 33.95 0.97 1.48 1.61 192 195 1 | ||
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2.80 10716 2903 4062 71.5% 77.8% 78.7% 10681 1.70 91.1% 87.9% -3% 0.762 1608 | 2.80 10716 2903 4062 71.5% 77.8% 78.7% 10681 1.70 91.1% 87.9% -3% 0.762 1608 | ||
total 82665 22762 25650 88.7% 8.4% 8.4% 82250 15.59 9.8% 16.3% -3% 0.788 12768 | total 82665 22762 25650 88.7% 8.4% 8.4% 82250 15.59 9.8% 16.3% -3% 0.788 12768 | ||
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 | ||
RESOLUTION NUMBER OF REFLECTIONS COMPLETENESS R-FACTOR R-FACTOR COMPARED I/SIGMA R-meas Rmrgd-F Anomal SigAno Nano | 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 | LIMIT OBSERVED UNIQUE POSSIBLE OF DATA observed expected Corr | ||
8.28 3515 1044 1102 94.7% 1.5% 1.6% 3455 63.47 1.8% 1.2% -1% 0.755 615 | 8.28 3515 1044 1102 94.7% 1.5% 1.6% 3455 63.47 1.8% 1.2% -1% 0.755 615 | ||
5.91 5784 1651 1816 90.9% 3.1% 3.0% 5718 36.62 3.6% 2.8% -1% 0.842 954 | 5.91 5784 1651 1816 90.9% 3.1% 3.0% 5718 36.62 3.6% 2.8% -1% 0.842 954 | ||
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RESOLUTION NUMBER OF REFLECTIONS COMPLETENESS R-FACTOR R-FACTOR COMPARED I/SIGMA R-meas Rmrgd-F Anomal SigAno Nano | 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 | LIMIT OBSERVED UNIQUE POSSIBLE OF DATA observed expected Corr | ||
8.28 3390 997 1102 90.5% 1.5% 1.6% 3341 66.18 1.8% 1.2% 0% 0.758 595 | 8.28 3390 997 1102 90.5% 1.5% 1.6% 3341 66.18 1.8% 1.2% 0% 0.758 595 | ||
5.91 5098 1447 1816 79.7% 2.8% 2.7% 5045 40.97 3.3% 2.3% -1% 0.835 852 | 5.91 5098 1447 1816 79.7% 2.8% 2.7% 5045 40.97 3.3% 2.3% -1% 0.835 852 | ||