Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0a1ebd4b0ae05b6164f12f676189889e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 21.764,
"b": 38.411,
"c": 87.743,
"alpha": 90.00,
"beta": 91.23,
"gamma": 90.00
},
"wavelengths": [0.91956],
"diffraction_limits_estimated": {
"eigenvalues": [1.80000, 1.97700, 1.93700],
"eigenvectors": [
[0.98149, 0.00000, 0.19150],
[0.00000, 1.00000, 0.00000],
[-0.19150, 0.00000, 0.98149]
]
},
"signal_type": "local <I/sigmaI>",
"signal_cutoff": 1.20,
"anisotropic_diffraction": true,
"overall_refln_statistics": {
"resolution_limits": [19.661,1.897],
"number_observations": 77793,
"number_observations_unique": 10239,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.2600
},
{
"type": "R(meas)",
"value": 0.2792
},
{
"type": "R(pim)",
"value": 0.1007
},
{
"type": "I/SigI",
"value": 5.55
},
{
"type": "CompletenessSpherical",
"value": 87.8
},
{
"type": "CompletenessEllipsoidal",
"value": 91.2
},
{
"type": "Redundancy",
"value": 7.60
},
{
"type": "CC(1/2)",
"value": 0.985
},
{
"type": "CompletenessAnoSpherical",
"value": 87.4
},
{
"type": "CompletenessAnoEllipsoidal",
"value": 90.9
},
{
"type": "RedundancyAno",
"value": 3.95
},
{
"type": "CC(ano)",
"value": -0.220
},
{
"type": "SigAno",
"value": 0.682
}
]
},
"refln_shells": [
{
"resolution_limits": [2,1.897],
"number_observations_unique": 512,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.336
},
{
"type": "R(meas)",
"value": 0.1078
},
{
"type": "R(pim)",
"value": 0.566
},
{
"type": "I/SigI",
"value": 12.54
},
{
"type": "Redundancy",
"value": 7.18
},
{
"type": "CC(1/2)",
"value": 0.483
}
]
},
{
"resolution_limits": [5.422,4.307],
"number_observations_unique": 512,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1066
},
{
"type": "R(meas)",
"value": 0.1141
},
{
"type": "R(pim)",
"value": 0.0403
},
{
"type": "I/SigI",
"value": 12.63
},
{
"type": "Redundancy",
"value": 7.84
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [4.305,3.764],
"number_observations_unique": 512,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1198
},
{
"type": "R(meas)",
"value": 0.1286
},
{
"type": "R(pim)",
"value": 0.0460
},
{
"type": "I/SigI",
"value": 12.28
},
{
"type": "Redundancy",
"value": 7.80
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [3.763,3.410],
"number_observations_unique": 512,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1363
},
{
"type": "R(meas)",
"value": 0.1468
},
{
"type": "R(pim)",
"value": 0.0537
},
{
"type": "I/SigI",
"value": 10.74
},
{
"type": "Redundancy",
"value": 7.31
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [3.410,3.158],
"number_observations_unique": 512,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1687
},
{
"type": "R(meas)",
"value": 0.1812
},
{
"type": "R(pim)",
"value": 0.0655
},
{
"type": "I/SigI",
"value": 9.38
},
{
"type": "Redundancy",
"value": 7.67
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [3.158,2.975],
"number_observations_unique": 512,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.2175
},
{
"type": "R(meas)",
"value": 0.2335
},
{
"type": "R(pim)",
"value": 0.0839
},
{
"type": "I/SigI",
"value": 7.91
},
{
"type": "Redundancy",
"value": 7.71
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [2.975,2.827],
"number_observations_unique": 512,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.2349
},
{
"type": "R(meas)",
"value": 0.2514
},
{
"type": "R(pim)",
"value": 0.0888
},
{
"type": "I/SigI",
"value": 7.05
},
{
"type": "Redundancy",
"value": 7.95
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [2.826,2.700],
"number_observations_unique": 512,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.3107
},
{
"type": "R(meas)",
"value": 0.3326
},
{
"type": "R(pim)",
"value": 0.1177
},
{
"type": "I/SigI",
"value": 5.64
},
{
"type": "Redundancy",
"value": 7.92
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
},
{
"resolution_limits": [2.700,2.595],
"number_observations_unique": 512,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.3701
},
{
"type": "R(meas)",
"value": 0.3962
},
{
"type": "R(pim)",
"value": 0.1404
},
{
"type": "I/SigI",
"value": 4.87
},
{
"type": "Redundancy",
"value": 7.93
},
{
"type": "CC(1/2)",
"value": 0.925
}
]
},
{
"resolution_limits": [2.595,2.504],
"number_observations_unique": 512,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.4257
},
{
"type": "R(meas)",
"value": 0.4586
},
{
"type": "R(pim)",
"value": 0.1686
},
{
"type": "I/SigI",
"value": 4.07
},
{
"type": "Redundancy",
"value": 7.35
},
{
"type": "CC(1/2)",
"value": 0.913
}
]
},
{
"resolution_limits": [2.504,2.422],
"number_observations_unique": 511,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.4812
},
{
"type": "R(meas)",
"value": 0.5174
},
{
"type": "R(pim)",
"value": 0.1882
},
{
"type": "I/SigI",
"value": 3.78
},
{
"type": "Redundancy",
"value": 7.53
},
{
"type": "CC(1/2)",
"value": 0.902
}
]
},
{
"resolution_limits": [2.422,2.355],
"number_observations_unique": 512,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.5769
},
{
"type": "R(meas)",
"value": 0.6225
},
{
"type": "R(pim)",
"value": 0.2314
},
{
"type": "I/SigI",
"value": 3.20
},
{
"type": "Redundancy",
"value": 7.17
},
{
"type": "CC(1/2)",
"value": 0.818
}
]
},
{
"resolution_limits": [2.355,2.291],
"number_observations_unique": 512,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.6530
},
{
"type": "R(meas)",
"value": 0.7013
},
{
"type": "R(pim)",
"value": 0.2535
},
{
"type": "I/SigI",
"value": 2.97
},
{
"type": "Redundancy",
"value": 7.58
},
{
"type": "CC(1/2)",
"value": 0.845
}
]
},
{
"resolution_limits": [2.291,2.235],
"number_observations_unique": 512,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.7436
},
{
"type": "R(meas)",
"value": 0.7981
},
{
"type": "R(pim)",
"value": 0.2871
},
{
"type": "I/SigI",
"value": 2.62
},
{
"type": "Redundancy",
"value": 7.65
},
{
"type": "CC(1/2)",
"value": 0.817
}
]
},
{
"resolution_limits": [2.235,2.183],
"number_observations_unique": 512,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.9329
},
{
"type": "R(meas)",
"value": 0.9998
},
{
"type": "R(pim)",
"value": 0.3561
},
{
"type": "I/SigI",
"value": 2.15
},
{
"type": "Redundancy",
"value": 7.84
},
{
"type": "CC(1/2)",
"value": 0.696
}
]
},
{
"resolution_limits": [2.183,2.136],
"number_observations_unique": 512,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.8969
},
{
"type": "R(meas)",
"value": 0.9617
},
{
"type": "R(pim)",
"value": 0.3437
},
{
"type": "I/SigI",
"value": 2.26
},
{
"type": "Redundancy",
"value": 7.77
},
{
"type": "CC(1/2)",
"value": 0.731
}
]
},
{
"resolution_limits": [2.136,2.093],
"number_observations_unique": 512,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.9995
},
{
"type": "R(meas)",
"value": 1.0700
},
{
"type": "R(pim)",
"value": 0.3786
},
{
"type": "I/SigI",
"value": 2.07
},
{
"type": "Redundancy",
"value": 7.90
},
{
"type": "CC(1/2)",
"value": 0.756
}
]
},
{
"resolution_limits": [2.092,2.048],
"number_observations_unique": 512,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.0960
},
{
"type": "R(meas)",
"value": 1.1751
},
{
"type": "R(pim)",
"value": 0.4199
},
{
"type": "I/SigI",
"value": 1.91
},
{
"type": "Redundancy",
"value": 7.81
},
{
"type": "CC(1/2)",
"value": 0.707
}
]
},
{
"resolution_limits": [2.047,1.998],
"number_observations_unique": 512,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.2027
},
{
"type": "R(meas)",
"value": 1.2914
},
{
"type": "R(pim)",
"value": 0.4657
},
{
"type": "I/SigI",
"value": 1.67
},
{
"type": "Redundancy",
"value": 7.55
},
{
"type": "CC(1/2)",
"value": 0.612
}
]
},
{
"resolution_limits": [1.998,1.897],
"number_observations_unique": 512,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.3358
},
{
"type": "R(meas)",
"value": 1.4548
},
{
"type": "R(pim)",
"value": 0.5659
},
{
"type": "I/SigI",
"value": 1.37
},
{
"type": "Redundancy",
"value": 6.49
},
{
"type": "CC(1/2)",
"value": 0.483
}
]
}
]
}