Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "ebf9573d0bab1e61b2e2ed21475d4c2b",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 100.04,
"b": 82.58,
"c": 188.61,
"alpha": 90.00,
"beta": 95.94,
"gamma": 90.00
},
"wavelengths": [0.97926],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [187.598,1.986],
"number_observations": 319201,
"number_observations_unique": 102735,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0692
},
{
"type": "R(meas)",
"value": 0.0833
},
{
"type": "R(pim)",
"value": 0.0458
},
{
"type": "I/SigI",
"value": 11.81
},
{
"type": "Completeness",
"value": 97.3
},
{
"type": "Redundancy",
"value": 3.11
},
{
"type": "CC(1/2)",
"value": 0.997
},
{
"type": "CompletenessAno",
"value": 83.4
},
{
"type": "RedundancyAno",
"value": 1.69
},
{
"type": "CC(ano)",
"value": -0.289
},
{
"type": "SigAno",
"value": 0.751
}
]
},
"refln_shells": [
{
"resolution_limits": [187.598,5.390],
"number_observations": 16920,
"number_observations_unique": 5335,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0315
},
{
"type": "R(meas)",
"value": 0.0377
},
{
"type": "R(pim)",
"value": 0.0205
},
{
"type": "I/SigI",
"value": 28.41
},
{
"type": "Completeness",
"value": 98.3
},
{
"type": "Redundancy",
"value": 3.17
},
{
"type": "CC(1/2)",
"value": 0.998
},
{
"type": "CompletenessAno",
"value": 93.1
},
{
"type": "RedundancyAno",
"value": 1.70
},
{
"type": "CC(ano)",
"value": -0.460
},
{
"type": "SigAno",
"value": 0.603
}
]
},
{
"resolution_limits": [5.390,4.278],
"number_observations": 17636,
"number_observations_unique": 5281,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0356
},
{
"type": "R(meas)",
"value": 0.0424
},
{
"type": "R(pim)",
"value": 0.0228
},
{
"type": "I/SigI",
"value": 27.90
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 3.34
},
{
"type": "CC(1/2)",
"value": 0.998
},
{
"type": "CompletenessAno",
"value": 94.8
},
{
"type": "RedundancyAno",
"value": 1.74
},
{
"type": "CC(ano)",
"value": -0.416
},
{
"type": "SigAno",
"value": 0.671
}
]
},
{
"resolution_limits": [4.278,3.737],
"number_observations": 16445,
"number_observations_unique": 5217,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0401
},
{
"type": "R(meas)",
"value": 0.0483
},
{
"type": "R(pim)",
"value": 0.0267
},
{
"type": "I/SigI",
"value": 25.61
},
{
"type": "Completeness",
"value": 98.0
},
{
"type": "Redundancy",
"value": 3.15
},
{
"type": "CC(1/2)",
"value": 0.996
},
{
"type": "CompletenessAno",
"value": 91.9
},
{
"type": "RedundancyAno",
"value": 1.65
},
{
"type": "CC(ano)",
"value": -0.394
},
{
"type": "SigAno",
"value": 0.733
}
]
},
{
"resolution_limits": [3.737,3.395],
"number_observations": 16049,
"number_observations_unique": 5185,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0470
},
{
"type": "R(meas)",
"value": 0.0568
},
{
"type": "R(pim)",
"value": 0.0315
},
{
"type": "I/SigI",
"value": 22.68
},
{
"type": "Completeness",
"value": 98.0
},
{
"type": "Redundancy",
"value": 3.10
},
{
"type": "CC(1/2)",
"value": 0.995
},
{
"type": "CompletenessAno",
"value": 89.1
},
{
"type": "RedundancyAno",
"value": 1.63
},
{
"type": "CC(ano)",
"value": -0.339
},
{
"type": "SigAno",
"value": 0.807
}
]
},
{
"resolution_limits": [3.395,3.152],
"number_observations": 17270,
"number_observations_unique": 5227,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0577
},
{
"type": "R(meas)",
"value": 0.0690
},
{
"type": "R(pim)",
"value": 0.0374
},
{
"type": "I/SigI",
"value": 20.04
},
{
"type": "Completeness",
"value": 98.6
},
{
"type": "Redundancy",
"value": 3.30
},
{
"type": "CC(1/2)",
"value": 0.994
},
{
"type": "CompletenessAno",
"value": 91.9
},
{
"type": "RedundancyAno",
"value": 1.73
},
{
"type": "CC(ano)",
"value": -0.254
},
{
"type": "SigAno",
"value": 0.821
}
]
},
{
"resolution_limits": [3.152,2.966],
"number_observations": 17616,
"number_observations_unique": 5174,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0704
},
{
"type": "R(meas)",
"value": 0.0838
},
{
"type": "R(pim)",
"value": 0.0450
},
{
"type": "I/SigI",
"value": 16.89
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 3.40
},
{
"type": "CC(1/2)",
"value": 0.992
},
{
"type": "CompletenessAno",
"value": 92.4
},
{
"type": "RedundancyAno",
"value": 1.77
},
{
"type": "CC(ano)",
"value": -0.203
},
{
"type": "SigAno",
"value": 0.822
}
]
},
{
"resolution_limits": [2.966,2.817],
"number_observations": 17668,
"number_observations_unique": 5210,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0826
},
{
"type": "R(meas)",
"value": 0.0982
},
{
"type": "R(pim)",
"value": 0.0527
},
{
"type": "I/SigI",
"value": 14.85
},
{
"type": "Completeness",
"value": 98.6
},
{
"type": "Redundancy",
"value": 3.39
},
{
"type": "CC(1/2)",
"value": 0.988
},
{
"type": "CompletenessAno",
"value": 91.4
},
{
"type": "RedundancyAno",
"value": 1.77
},
{
"type": "CC(ano)",
"value": -0.165
},
{
"type": "SigAno",
"value": 0.813
}
]
},
{
"resolution_limits": [2.817,2.695],
"number_observations": 16738,
"number_observations_unique": 5237,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1010
},
{
"type": "R(meas)",
"value": 0.1217
},
{
"type": "R(pim)",
"value": 0.0672
},
{
"type": "I/SigI",
"value": 11.84
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 3.20
},
{
"type": "CC(1/2)",
"value": 0.982
},
{
"type": "CompletenessAno",
"value": 90.2
},
{
"type": "RedundancyAno",
"value": 1.67
},
{
"type": "CC(ano)",
"value": -0.097
},
{
"type": "SigAno",
"value": 0.839
}
]
},
{
"resolution_limits": [2.695,2.591],
"number_observations": 17630,
"number_observations_unique": 5171,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1169
},
{
"type": "R(meas)",
"value": 0.1388
},
{
"type": "R(pim)",
"value": 0.0742
},
{
"type": "I/SigI",
"value": 10.65
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 3.41
},
{
"type": "CC(1/2)",
"value": 0.978
},
{
"type": "CompletenessAno",
"value": 91.9
},
{
"type": "RedundancyAno",
"value": 1.78
},
{
"type": "CC(ano)",
"value": -0.071
},
{
"type": "SigAno",
"value": 0.811
}
]
},
{
"resolution_limits": [2.591,2.502],
"number_observations": 16398,
"number_observations_unique": 5182,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1398
},
{
"type": "R(meas)",
"value": 0.1687
},
{
"type": "R(pim)",
"value": 0.0933
},
{
"type": "I/SigI",
"value": 8.51
},
{
"type": "Completeness",
"value": 98.6
},
{
"type": "Redundancy",
"value": 3.16
},
{
"type": "CC(1/2)",
"value": 0.965
},
{
"type": "CompletenessAno",
"value": 85.7
},
{
"type": "RedundancyAno",
"value": 1.69
},
{
"type": "CC(ano)",
"value": -0.064
},
{
"type": "SigAno",
"value": 0.796
}
]
},
{
"resolution_limits": [2.502,2.423],
"number_observations": 16717,
"number_observations_unique": 5259,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1537
},
{
"type": "R(meas)",
"value": 0.1855
},
{
"type": "R(pim)",
"value": 0.1028
},
{
"type": "I/SigI",
"value": 7.87
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 3.18
},
{
"type": "CC(1/2)",
"value": 0.958
},
{
"type": "CompletenessAno",
"value": 87.0
},
{
"type": "RedundancyAno",
"value": 1.69
},
{
"type": "CC(ano)",
"value": -0.092
},
{
"type": "SigAno",
"value": 0.793
}
]
},
{
"resolution_limits": [2.423,2.354],
"number_observations": 16940,
"number_observations_unique": 5235,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1685
},
{
"type": "R(meas)",
"value": 0.2024
},
{
"type": "R(pim)",
"value": 0.1110
},
{
"type": "I/SigI",
"value": 7.21
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 3.24
},
{
"type": "CC(1/2)",
"value": 0.958
},
{
"type": "CompletenessAno",
"value": 88.5
},
{
"type": "RedundancyAno",
"value": 1.71
},
{
"type": "CC(ano)",
"value": -0.035
},
{
"type": "SigAno",
"value": 0.764
}
]
},
{
"resolution_limits": [2.354,2.292],
"number_observations": 16491,
"number_observations_unique": 5183,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1965
},
{
"type": "R(meas)",
"value": 0.2365
},
{
"type": "R(pim)",
"value": 0.1301
},
{
"type": "I/SigI",
"value": 6.18
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 3.18
},
{
"type": "CC(1/2)",
"value": 0.942
},
{
"type": "CompletenessAno",
"value": 86.2
},
{
"type": "RedundancyAno",
"value": 1.71
},
{
"type": "CC(ano)",
"value": -0.032
},
{
"type": "SigAno",
"value": 0.768
}
]
},
{
"resolution_limits": [2.292,2.236],
"number_observations": 15782,
"number_observations_unique": 5126,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.2246
},
{
"type": "R(meas)",
"value": 0.2715
},
{
"type": "R(pim)",
"value": 0.1505
},
{
"type": "I/SigI",
"value": 5.23
},
{
"type": "Completeness",
"value": 98.6
},
{
"type": "Redundancy",
"value": 3.08
},
{
"type": "CC(1/2)",
"value": 0.917
},
{
"type": "CompletenessAno",
"value": 82.3
},
{
"type": "RedundancyAno",
"value": 1.69
},
{
"type": "CC(ano)",
"value": -0.042
},
{
"type": "SigAno",
"value": 0.732
}
]
},
{
"resolution_limits": [2.236,2.185],
"number_observations": 15573,
"number_observations_unique": 5178,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.2638
},
{
"type": "R(meas)",
"value": 0.3184
},
{
"type": "R(pim)",
"value": 0.1758
},
{
"type": "I/SigI",
"value": 4.51
},
{
"type": "Completeness",
"value": 97.6
},
{
"type": "Redundancy",
"value": 3.01
},
{
"type": "CC(1/2)",
"value": 0.897
},
{
"type": "CompletenessAno",
"value": 75.9
},
{
"type": "RedundancyAno",
"value": 1.71
},
{
"type": "CC(ano)",
"value": -0.080
},
{
"type": "SigAno",
"value": 0.713
}
]
},
{
"resolution_limits": [2.185,2.139],
"number_observations": 14041,
"number_observations_unique": 5017,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.2771
},
{
"type": "R(meas)",
"value": 0.3390
},
{
"type": "R(pim)",
"value": 0.1924
},
{
"type": "I/SigI",
"value": 4.03
},
{
"type": "Completeness",
"value": 94.7
},
{
"type": "Redundancy",
"value": 2.80
},
{
"type": "CC(1/2)",
"value": 0.863
},
{
"type": "CompletenessAno",
"value": 70.3
},
{
"type": "RedundancyAno",
"value": 1.62
},
{
"type": "CC(ano)",
"value": 0.001
},
{
"type": "SigAno",
"value": 0.721
}
]
},
{
"resolution_limits": [2.139,2.096],
"number_observations": 13534,
"number_observations_unique": 4863,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.3478
},
{
"type": "R(meas)",
"value": 0.4251
},
{
"type": "R(pim)",
"value": 0.2411
},
{
"type": "I/SigI",
"value": 3.17
},
{
"type": "Completeness",
"value": 94.0
},
{
"type": "Redundancy",
"value": 2.78
},
{
"type": "CC(1/2)",
"value": 0.804
},
{
"type": "CompletenessAno",
"value": 69.8
},
{
"type": "RedundancyAno",
"value": 1.61
},
{
"type": "CC(ano)",
"value": -0.026
},
{
"type": "SigAno",
"value": 0.694
}
]
},
{
"resolution_limits": [2.096,2.057],
"number_observations": 13882,
"number_observations_unique": 4948,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.4059
},
{
"type": "R(meas)",
"value": 0.4941
},
{
"type": "R(pim)",
"value": 0.2777
},
{
"type": "I/SigI",
"value": 2.75
},
{
"type": "Completeness",
"value": 93.4
},
{
"type": "Redundancy",
"value": 2.81
},
{
"type": "CC(1/2)",
"value": 0.779
},
{
"type": "CompletenessAno",
"value": 68.5
},
{
"type": "RedundancyAno",
"value": 1.65
},
{
"type": "CC(ano)",
"value": -0.017
},
{
"type": "SigAno",
"value": 0.695
}
]
},
{
"resolution_limits": [2.057,2.020],
"number_observations": 13520,
"number_observations_unique": 4829,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.4390
},
{
"type": "R(meas)",
"value": 0.5333
},
{
"type": "R(pim)",
"value": 0.2986
},
{
"type": "I/SigI",
"value": 2.47
},
{
"type": "Completeness",
"value": 93.1
},
{
"type": "Redundancy",
"value": 2.80
},
{
"type": "CC(1/2)",
"value": 0.743
},
{
"type": "CompletenessAno",
"value": 68.1
},
{
"type": "RedundancyAno",
"value": 1.65
},
{
"type": "CC(ano)",
"value": -0.008
},
{
"type": "SigAno",
"value": 0.671
}
]
},
{
"resolution_limits": [2.020,1.986],
"number_observations": 12351,
"number_observations_unique": 4878,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.5182
},
{
"type": "R(meas)",
"value": 0.6394
},
{
"type": "R(pim)",
"value": 0.3695
},
{
"type": "I/SigI",
"value": 2.03
},
{
"type": "Completeness",
"value": 91.8
},
{
"type": "Redundancy",
"value": 2.53
},
{
"type": "CC(1/2)",
"value": 0.644
},
{
"type": "CompletenessAno",
"value": 61.2
},
{
"type": "RedundancyAno",
"value": 1.55
},
{
"type": "CC(ano)",
"value": -0.006
},
{
"type": "SigAno",
"value": 0.678
}
]
}
]
}