Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f4f137f8075c02f87c22a1c1bc916985",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 64.418,
"b": 162.346,
"c": 148.765,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.07100],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.173,2.035],
"number_observations": 449914,
"number_observations_unique": 50045,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1365
},
{
"type": "R(meas)",
"value": 0.1449
},
{
"type": "R(pim)",
"value": 0.0478
},
{
"type": "I/SigI",
"value": 10.50
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 8.99
},
{
"type": "CC(1/2)",
"value": 0.994
},
{
"type": "CompletenessAno",
"value": 99.2
},
{
"type": "RedundancyAno",
"value": 4.68
},
{
"type": "CC(ano)",
"value": -0.024
},
{
"type": "SigAno",
"value": 0.796
}
]
},
"refln_shells": [
{
"resolution_limits": [81.173,5.524],
"number_observations": 23109,
"number_observations_unique": 2697,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0900
},
{
"type": "R(meas)",
"value": 0.0962
},
{
"type": "R(pim)",
"value": 0.0329
},
{
"type": "I/SigI",
"value": 21.95
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 8.57
},
{
"type": "CC(1/2)",
"value": 0.991
},
{
"type": "CompletenessAno",
"value": 100.0
},
{
"type": "RedundancyAno",
"value": 4.74
},
{
"type": "CC(ano)",
"value": 0.004
},
{
"type": "SigAno",
"value": 0.994
}
]
},
{
"resolution_limits": [5.524,4.385],
"number_observations": 21886,
"number_observations_unique": 2575,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0928
},
{
"type": "R(meas)",
"value": 0.0986
},
{
"type": "R(pim)",
"value": 0.0330
},
{
"type": "I/SigI",
"value": 21.26
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 8.50
},
{
"type": "CC(1/2)",
"value": 0.993
},
{
"type": "CompletenessAno",
"value": 100.0
},
{
"type": "RedundancyAno",
"value": 4.50
},
{
"type": "CC(ano)",
"value": 0.004
},
{
"type": "SigAno",
"value": 0.871
}
]
},
{
"resolution_limits": [4.385,3.831],
"number_observations": 22712,
"number_observations_unique": 2545,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0980
},
{
"type": "R(meas)",
"value": 0.1038
},
{
"type": "R(pim)",
"value": 0.0339
},
{
"type": "I/SigI",
"value": 21.11
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 8.92
},
{
"type": "CC(1/2)",
"value": 0.994
},
{
"type": "CompletenessAno",
"value": 100.0
},
{
"type": "RedundancyAno",
"value": 4.69
},
{
"type": "CC(ano)",
"value": -0.143
},
{
"type": "SigAno",
"value": 0.837
}
]
},
{
"resolution_limits": [3.831,3.480],
"number_observations": 23895,
"number_observations_unique": 2541,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1021
},
{
"type": "R(meas)",
"value": 0.1078
},
{
"type": "R(pim)",
"value": 0.0345
},
{
"type": "I/SigI",
"value": 19.90
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 9.40
},
{
"type": "CC(1/2)",
"value": 0.994
},
{
"type": "CompletenessAno",
"value": 100.0
},
{
"type": "RedundancyAno",
"value": 4.92
},
{
"type": "CC(ano)",
"value": -0.092
},
{
"type": "SigAno",
"value": 0.832
}
]
},
{
"resolution_limits": [3.480,3.231],
"number_observations": 23574,
"number_observations_unique": 2496,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1129
},
{
"type": "R(meas)",
"value": 0.1193
},
{
"type": "R(pim)",
"value": 0.0382
},
{
"type": "I/SigI",
"value": 17.83
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 9.44
},
{
"type": "CC(1/2)",
"value": 0.994
},
{
"type": "CompletenessAno",
"value": 100.0
},
{
"type": "RedundancyAno",
"value": 4.91
},
{
"type": "CC(ano)",
"value": -0.042
},
{
"type": "SigAno",
"value": 0.804
}
]
},
{
"resolution_limits": [3.231,3.040],
"number_observations": 22936,
"number_observations_unique": 2555,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1313
},
{
"type": "R(meas)",
"value": 0.1392
},
{
"type": "R(pim)",
"value": 0.0458
},
{
"type": "I/SigI",
"value": 14.59
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 8.98
},
{
"type": "CC(1/2)",
"value": 0.994
},
{
"type": "CompletenessAno",
"value": 100.0
},
{
"type": "RedundancyAno",
"value": 4.68
},
{
"type": "CC(ano)",
"value": -0.029
},
{
"type": "SigAno",
"value": 0.799
}
]
},
{
"resolution_limits": [3.040,2.888],
"number_observations": 24238,
"number_observations_unique": 2526,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1587
},
{
"type": "R(meas)",
"value": 0.1677
},
{
"type": "R(pim)",
"value": 0.0536
},
{
"type": "I/SigI",
"value": 12.93
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 9.60
},
{
"type": "CC(1/2)",
"value": 0.991
},
{
"type": "CompletenessAno",
"value": 100.0
},
{
"type": "RedundancyAno",
"value": 4.97
},
{
"type": "CC(ano)",
"value": 0.048
},
{
"type": "SigAno",
"value": 0.817
}
]
},
{
"resolution_limits": [2.888,2.762],
"number_observations": 23724,
"number_observations_unique": 2488,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1807
},
{
"type": "R(meas)",
"value": 0.1911
},
{
"type": "R(pim)",
"value": 0.0614
},
{
"type": "I/SigI",
"value": 11.66
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 9.54
},
{
"type": "CC(1/2)",
"value": 0.989
},
{
"type": "CompletenessAno",
"value": 99.9
},
{
"type": "RedundancyAno",
"value": 4.94
},
{
"type": "CC(ano)",
"value": 0.010
},
{
"type": "SigAno",
"value": 0.818
}
]
},
{
"resolution_limits": [2.762,2.656],
"number_observations": 22131,
"number_observations_unique": 2475,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.2098
},
{
"type": "R(meas)",
"value": 0.2226
},
{
"type": "R(pim)",
"value": 0.0737
},
{
"type": "I/SigI",
"value": 9.96
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 8.94
},
{
"type": "CC(1/2)",
"value": 0.985
},
{
"type": "CompletenessAno",
"value": 99.8
},
{
"type": "RedundancyAno",
"value": 4.62
},
{
"type": "CC(ano)",
"value": -0.054
},
{
"type": "SigAno",
"value": 0.795
}
]
},
{
"resolution_limits": [2.656,2.564],
"number_observations": 23604,
"number_observations_unique": 2497,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.2540
},
{
"type": "R(meas)",
"value": 0.2684
},
{
"type": "R(pim)",
"value": 0.0863
},
{
"type": "I/SigI",
"value": 8.95
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 9.45
},
{
"type": "CC(1/2)",
"value": 0.980
},
{
"type": "CompletenessAno",
"value": 99.7
},
{
"type": "RedundancyAno",
"value": 4.89
},
{
"type": "CC(ano)",
"value": -0.022
},
{
"type": "SigAno",
"value": 0.796
}
]
},
{
"resolution_limits": [2.564,2.484],
"number_observations": 24037,
"number_observations_unique": 2493,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.3066
},
{
"type": "R(meas)",
"value": 0.3237
},
{
"type": "R(pim)",
"value": 0.1031
},
{
"type": "I/SigI",
"value": 7.82
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 9.64
},
{
"type": "CC(1/2)",
"value": 0.972
},
{
"type": "CompletenessAno",
"value": 99.7
},
{
"type": "RedundancyAno",
"value": 4.97
},
{
"type": "CC(ano)",
"value": -0.003
},
{
"type": "SigAno",
"value": 0.782
}
]
},
{
"resolution_limits": [2.484,2.413],
"number_observations": 24354,
"number_observations_unique": 2497,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.3636
},
{
"type": "R(meas)",
"value": 0.3836
},
{
"type": "R(pim)",
"value": 0.1215
},
{
"type": "I/SigI",
"value": 6.94
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 9.75
},
{
"type": "CC(1/2)",
"value": 0.962
},
{
"type": "CompletenessAno",
"value": 99.7
},
{
"type": "RedundancyAno",
"value": 5.03
},
{
"type": "CC(ano)",
"value": 0.015
},
{
"type": "SigAno",
"value": 0.794
}
]
},
{
"resolution_limits": [2.413,2.350],
"number_observations": 24311,
"number_observations_unique": 2484,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.4035
},
{
"type": "R(meas)",
"value": 0.4257
},
{
"type": "R(pim)",
"value": 0.1347
},
{
"type": "I/SigI",
"value": 6.38
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 9.79
},
{
"type": "CC(1/2)",
"value": 0.959
},
{
"type": "CompletenessAno",
"value": 99.7
},
{
"type": "RedundancyAno",
"value": 5.05
},
{
"type": "CC(ano)",
"value": -0.025
},
{
"type": "SigAno",
"value": 0.750
}
]
},
{
"resolution_limits": [2.350,2.292],
"number_observations": 23936,
"number_observations_unique": 2442,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.4634
},
{
"type": "R(meas)",
"value": 0.4888
},
{
"type": "R(pim)",
"value": 0.1542
},
{
"type": "I/SigI",
"value": 5.69
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 9.80
},
{
"type": "CC(1/2)",
"value": 0.945
},
{
"type": "CompletenessAno",
"value": 99.3
},
{
"type": "RedundancyAno",
"value": 5.06
},
{
"type": "CC(ano)",
"value": 0.002
},
{
"type": "SigAno",
"value": 0.764
}
]
},
{
"resolution_limits": [2.292,2.240],
"number_observations": 24278,
"number_observations_unique": 2487,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.5396
},
{
"type": "R(meas)",
"value": 0.5691
},
{
"type": "R(pim)",
"value": 0.1793
},
{
"type": "I/SigI",
"value": 4.95
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 9.76
},
{
"type": "CC(1/2)",
"value": 0.929
},
{
"type": "CompletenessAno",
"value": 98.6
},
{
"type": "RedundancyAno",
"value": 5.05
},
{
"type": "CC(ano)",
"value": -0.022
},
{
"type": "SigAno",
"value": 0.757
}
]
},
{
"resolution_limits": [2.240,2.193],
"number_observations": 22525,
"number_observations_unique": 2487,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.6263
},
{
"type": "R(meas)",
"value": 0.6635
},
{
"type": "R(pim)",
"value": 0.2167
},
{
"type": "I/SigI",
"value": 4.08
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 9.06
},
{
"type": "CC(1/2)",
"value": 0.890
},
{
"type": "CompletenessAno",
"value": 98.3
},
{
"type": "RedundancyAno",
"value": 4.70
},
{
"type": "CC(ano)",
"value": -0.010
},
{
"type": "SigAno",
"value": 0.752
}
]
},
{
"resolution_limits": [2.193,2.149],
"number_observations": 20301,
"number_observations_unique": 2445,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.6715
},
{
"type": "R(meas)",
"value": 0.7154
},
{
"type": "R(pim)",
"value": 0.2429
},
{
"type": "I/SigI",
"value": 3.61
},
{
"type": "Completeness",
"value": 98.5
},
{
"type": "Redundancy",
"value": 8.30
},
{
"type": "CC(1/2)",
"value": 0.851
},
{
"type": "CompletenessAno",
"value": 98.2
},
{
"type": "RedundancyAno",
"value": 4.30
},
{
"type": "CC(ano)",
"value": -0.033
},
{
"type": "SigAno",
"value": 0.746
}
]
},
{
"resolution_limits": [2.149,2.108],
"number_observations": 18965,
"number_observations_unique": 2455,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.7663
},
{
"type": "R(meas)",
"value": 0.8205
},
{
"type": "R(pim)",
"value": 0.2876
},
{
"type": "I/SigI",
"value": 2.97
},
{
"type": "Completeness",
"value": 98.6
},
{
"type": "Redundancy",
"value": 7.73
},
{
"type": "CC(1/2)",
"value": 0.779
},
{
"type": "CompletenessAno",
"value": 98.4
},
{
"type": "RedundancyAno",
"value": 4.01
},
{
"type": "CC(ano)",
"value": -0.018
},
{
"type": "SigAno",
"value": 0.733
}
]
},
{
"resolution_limits": [2.108,2.071],
"number_observations": 18231,
"number_observations_unique": 2446,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.8588
},
{
"type": "R(meas)",
"value": 0.9217
},
{
"type": "R(pim)",
"value": 0.3280
},
{
"type": "I/SigI",
"value": 2.61
},
{
"type": "Completeness",
"value": 98.5
},
{
"type": "Redundancy",
"value": 7.45
},
{
"type": "CC(1/2)",
"value": 0.735
},
{
"type": "CompletenessAno",
"value": 97.2
},
{
"type": "RedundancyAno",
"value": 3.89
},
{
"type": "CC(ano)",
"value": -0.020
},
{
"type": "SigAno",
"value": 0.739
}
]
},
{
"resolution_limits": [2.071,2.035],
"number_observations": 17167,
"number_observations_unique": 2414,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.9876
},
{
"type": "R(meas)",
"value": 1.0648
},
{
"type": "R(pim)",
"value": 0.3899
},
{
"type": "I/SigI",
"value": 2.18
},
{
"type": "Completeness",
"value": 97.1
},
{
"type": "Redundancy",
"value": 7.11
},
{
"type": "CC(1/2)",
"value": 0.657
},
{
"type": "CompletenessAno",
"value": 95.6
},
{
"type": "RedundancyAno",
"value": 3.70
},
{
"type": "CC(ano)",
"value": -0.004
},
{
"type": "SigAno",
"value": 0.753
}
]
}
]
}