Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4a7b95387a0aa0d10f9b431ed6da4b01",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 61.906,
"b": 70.768,
"c": 108.648,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.324,2.322],
"number_observations": 284518,
"number_observations_unique": 21248,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.3253
},
{
"type": "R(meas)",
"value": 0.3388
},
{
"type": "R(pim)",
"value": 0.0934
},
{
"type": "I/SigI",
"value": 12.24
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.39
},
{
"type": "CC(1/2)",
"value": 0.991
},
{
"type": "CompletenessAno",
"value": 100.0
},
{
"type": "RedundancyAno",
"value": 7.16
},
{
"type": "CC(ano)",
"value": -0.057
},
{
"type": "SigAno",
"value": 0.829
}
]
},
"refln_shells": [
{
"resolution_limits": [54.324,6.301],
"number_observations": 14154,
"number_observations_unique": 1168,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0695
},
{
"type": "R(meas)",
"value": 0.0726
},
{
"type": "R(pim)",
"value": 0.0206
},
{
"type": "I/SigI",
"value": 28.82
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 12.12
},
{
"type": "CC(1/2)",
"value": 0.998
},
{
"type": "CompletenessAno",
"value": 100.0
},
{
"type": "RedundancyAno",
"value": 7.17
},
{
"type": "CC(ano)",
"value": 0.244
},
{
"type": "SigAno",
"value": 1.052
}
]
},
{
"resolution_limits": [6.301,5.002],
"number_observations": 14809,
"number_observations_unique": 1099,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1094
},
{
"type": "R(meas)",
"value": 0.1138
},
{
"type": "R(pim)",
"value": 0.0309
},
{
"type": "I/SigI",
"value": 25.14
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.47
},
{
"type": "CC(1/2)",
"value": 0.995
},
{
"type": "CompletenessAno",
"value": 100.0
},
{
"type": "RedundancyAno",
"value": 7.46
},
{
"type": "CC(ano)",
"value": 0.119
},
{
"type": "SigAno",
"value": 0.994
}
]
},
{
"resolution_limits": [5.002,4.370],
"number_observations": 14471,
"number_observations_unique": 1089,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1129
},
{
"type": "R(meas)",
"value": 0.1177
},
{
"type": "R(pim)",
"value": 0.0327
},
{
"type": "I/SigI",
"value": 25.68
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.29
},
{
"type": "CC(1/2)",
"value": 0.994
},
{
"type": "CompletenessAno",
"value": 100.0
},
{
"type": "RedundancyAno",
"value": 7.27
},
{
"type": "CC(ano)",
"value": 0.002
},
{
"type": "SigAno",
"value": 0.873
}
]
},
{
"resolution_limits": [4.370,3.971],
"number_observations": 14535,
"number_observations_unique": 1080,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1348
},
{
"type": "R(meas)",
"value": 0.1402
},
{
"type": "R(pim)",
"value": 0.0385
},
{
"type": "I/SigI",
"value": 23.89
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.46
},
{
"type": "CC(1/2)",
"value": 0.993
},
{
"type": "CompletenessAno",
"value": 100.0
},
{
"type": "RedundancyAno",
"value": 7.23
},
{
"type": "CC(ano)",
"value": -0.176
},
{
"type": "SigAno",
"value": 0.815
}
]
},
{
"resolution_limits": [3.971,3.686],
"number_observations": 14017,
"number_observations_unique": 1059,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1776
},
{
"type": "R(meas)",
"value": 0.1851
},
{
"type": "R(pim)",
"value": 0.0514
},
{
"type": "I/SigI",
"value": 20.74
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.24
},
{
"type": "CC(1/2)",
"value": 0.991
},
{
"type": "CompletenessAno",
"value": 100.0
},
{
"type": "RedundancyAno",
"value": 7.13
},
{
"type": "CC(ano)",
"value": -0.203
},
{
"type": "SigAno",
"value": 0.837
}
]
},
{
"resolution_limits": [3.686,3.469],
"number_observations": 14137,
"number_observations_unique": 1072,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.2488
},
{
"type": "R(meas)",
"value": 0.2595
},
{
"type": "R(pim)",
"value": 0.0729
},
{
"type": "I/SigI",
"value": 17.63
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.19
},
{
"type": "CC(1/2)",
"value": 0.989
},
{
"type": "CompletenessAno",
"value": 100.0
},
{
"type": "RedundancyAno",
"value": 7.06
},
{
"type": "CC(ano)",
"value": -0.162
},
{
"type": "SigAno",
"value": 0.844
}
]
},
{
"resolution_limits": [3.469,3.295],
"number_observations": 13983,
"number_observations_unique": 1052,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.3667
},
{
"type": "R(meas)",
"value": 0.3822
},
{
"type": "R(pim)",
"value": 0.1067
},
{
"type": "I/SigI",
"value": 14.81
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.29
},
{
"type": "CC(1/2)",
"value": 0.978
},
{
"type": "CompletenessAno",
"value": 99.9
},
{
"type": "RedundancyAno",
"value": 7.09
},
{
"type": "CC(ano)",
"value": -0.041
},
{
"type": "SigAno",
"value": 0.810
}
]
},
{
"resolution_limits": [3.295,3.152],
"number_observations": 14239,
"number_observations_unique": 1065,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.4780
},
{
"type": "R(meas)",
"value": 0.4982
},
{
"type": "R(pim)",
"value": 0.1384
},
{
"type": "I/SigI",
"value": 12.80
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.37
},
{
"type": "CC(1/2)",
"value": 0.961
},
{
"type": "CompletenessAno",
"value": 100.0
},
{
"type": "RedundancyAno",
"value": 7.12
},
{
"type": "CC(ano)",
"value": 0.027
},
{
"type": "SigAno",
"value": 0.825
}
]
},
{
"resolution_limits": [3.152,3.031],
"number_observations": 14007,
"number_observations_unique": 1047,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.6591
},
{
"type": "R(meas)",
"value": 0.6869
},
{
"type": "R(pim)",
"value": 0.1910
},
{
"type": "I/SigI",
"value": 10.65
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.38
},
{
"type": "CC(1/2)",
"value": 0.948
},
{
"type": "CompletenessAno",
"value": 99.9
},
{
"type": "RedundancyAno",
"value": 7.12
},
{
"type": "CC(ano)",
"value": -0.062
},
{
"type": "SigAno",
"value": 0.806
}
]
},
{
"resolution_limits": [3.031,2.926],
"number_observations": 14263,
"number_observations_unique": 1056,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.7148
},
{
"type": "R(meas)",
"value": 0.7444
},
{
"type": "R(pim)",
"value": 0.2051
},
{
"type": "I/SigI",
"value": 9.51
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.51
},
{
"type": "CC(1/2)",
"value": 0.944
},
{
"type": "CompletenessAno",
"value": 100.0
},
{
"type": "RedundancyAno",
"value": 7.17
},
{
"type": "CC(ano)",
"value": -0.029
},
{
"type": "SigAno",
"value": 0.789
}
]
},
{
"resolution_limits": [2.926,2.835],
"number_observations": 14346,
"number_observations_unique": 1051,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.8657
},
{
"type": "R(meas)",
"value": 0.9010
},
{
"type": "R(pim)",
"value": 0.2470
},
{
"type": "I/SigI",
"value": 8.27
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.65
},
{
"type": "CC(1/2)",
"value": 0.919
},
{
"type": "CompletenessAno",
"value": 100.0
},
{
"type": "RedundancyAno",
"value": 7.20
},
{
"type": "CC(ano)",
"value": -0.048
},
{
"type": "SigAno",
"value": 0.799
}
]
},
{
"resolution_limits": [2.835,2.753],
"number_observations": 14404,
"number_observations_unique": 1056,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.8932
},
{
"type": "R(meas)",
"value": 0.9297
},
{
"type": "R(pim)",
"value": 0.2548
},
{
"type": "I/SigI",
"value": 7.64
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.64
},
{
"type": "CC(1/2)",
"value": 0.915
},
{
"type": "CompletenessAno",
"value": 99.9
},
{
"type": "RedundancyAno",
"value": 7.24
},
{
"type": "CC(ano)",
"value": -0.054
},
{
"type": "SigAno",
"value": 0.830
}
]
},
{
"resolution_limits": [2.753,2.681],
"number_observations": 14224,
"number_observations_unique": 1041,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.1543
},
{
"type": "R(meas)",
"value": 1.2011
},
{
"type": "R(pim)",
"value": 0.3284
},
{
"type": "I/SigI",
"value": 6.29
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.66
},
{
"type": "CC(1/2)",
"value": 0.842
},
{
"type": "CompletenessAno",
"value": 100.0
},
{
"type": "RedundancyAno",
"value": 7.22
},
{
"type": "CC(ano)",
"value": -0.035
},
{
"type": "SigAno",
"value": 0.830
}
]
},
{
"resolution_limits": [2.681,2.616],
"number_observations": 14391,
"number_observations_unique": 1042,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.2365
},
{
"type": "R(meas)",
"value": 1.2863
},
{
"type": "R(pim)",
"value": 0.3507
},
{
"type": "I/SigI",
"value": 5.94
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.81
},
{
"type": "CC(1/2)",
"value": 0.832
},
{
"type": "CompletenessAno",
"value": 100.0
},
{
"type": "RedundancyAno",
"value": 7.25
},
{
"type": "CC(ano)",
"value": -0.087
},
{
"type": "SigAno",
"value": 0.802
}
]
},
{
"resolution_limits": [2.616,2.556],
"number_observations": 14523,
"number_observations_unique": 1055,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.4308
},
{
"type": "R(meas)",
"value": 1.4882
},
{
"type": "R(pim)",
"value": 0.4049
},
{
"type": "I/SigI",
"value": 5.19
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.77
},
{
"type": "CC(1/2)",
"value": 0.813
},
{
"type": "CompletenessAno",
"value": 100.0
},
{
"type": "RedundancyAno",
"value": 7.25
},
{
"type": "CC(ano)",
"value": 0.007
},
{
"type": "SigAno",
"value": 0.804
}
]
},
{
"resolution_limits": [2.556,2.502],
"number_observations": 14474,
"number_observations_unique": 1046,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.4670
},
{
"type": "R(meas)",
"value": 1.5253
},
{
"type": "R(pim)",
"value": 0.4133
},
{
"type": "I/SigI",
"value": 4.59
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.84
},
{
"type": "CC(1/2)",
"value": 0.844
},
{
"type": "CompletenessAno",
"value": 100.0
},
{
"type": "RedundancyAno",
"value": 7.26
},
{
"type": "CC(ano)",
"value": -0.012
},
{
"type": "SigAno",
"value": 0.785
}
]
},
{
"resolution_limits": [2.502,2.452],
"number_observations": 14171,
"number_observations_unique": 1028,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.4378
},
{
"type": "R(meas)",
"value": 1.4946
},
{
"type": "R(pim)",
"value": 0.4043
},
{
"type": "I/SigI",
"value": 4.06
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.79
},
{
"type": "CC(1/2)",
"value": 0.834
},
{
"type": "CompletenessAno",
"value": 100.0
},
{
"type": "RedundancyAno",
"value": 7.25
},
{
"type": "CC(ano)",
"value": -0.068
},
{
"type": "SigAno",
"value": 0.780
}
]
},
{
"resolution_limits": [2.452,2.405],
"number_observations": 14134,
"number_observations_unique": 1046,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.5750
},
{
"type": "R(meas)",
"value": 1.6383
},
{
"type": "R(pim)",
"value": 0.4463
},
{
"type": "I/SigI",
"value": 3.48
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.51
},
{
"type": "CC(1/2)",
"value": 0.760
},
{
"type": "CompletenessAno",
"value": 100.0
},
{
"type": "RedundancyAno",
"value": 7.07
},
{
"type": "CC(ano)",
"value": 0.022
},
{
"type": "SigAno",
"value": 0.780
}
]
},
{
"resolution_limits": [2.405,2.362],
"number_observations": 13568,
"number_observations_unique": 1025,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.5667
},
{
"type": "R(meas)",
"value": 1.6311
},
{
"type": "R(pim)",
"value": 0.4488
},
{
"type": "I/SigI",
"value": 3.23
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.24
},
{
"type": "CC(1/2)",
"value": 0.714
},
{
"type": "CompletenessAno",
"value": 100.0
},
{
"type": "RedundancyAno",
"value": 6.93
},
{
"type": "CC(ano)",
"value": -0.004
},
{
"type": "SigAno",
"value": 0.765
}
]
},
{
"resolution_limits": [2.362,2.322],
"number_observations": 13668,
"number_observations_unique": 1071,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.8547
},
{
"type": "R(meas)",
"value": 1.9337
},
{
"type": "R(pim)",
"value": 0.5397
},
{
"type": "I/SigI",
"value": 2.73
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.76
},
{
"type": "CC(1/2)",
"value": 0.685
},
{
"type": "CompletenessAno",
"value": 100.0
},
{
"type": "RedundancyAno",
"value": 6.71
},
{
"type": "CC(ano)",
"value": -0.013
},
{
"type": "SigAno",
"value": 0.799
}
]
}
]
}