Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e902f872fe0f42069f5154161905770b",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 97.696,
"b": 80.938,
"c": 51.738,
"alpha": 90.00,
"beta": 114.27,
"gamma": 90.00
},
"wavelengths": [0.97800],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.165,1.50],
"number_observations_unique": 57378,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 13.990
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.287
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.540,1.510],
"number_observations": 19196,
"number_observations_unique": 6991,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.555
},
{
"type": "R(meas)",
"value": 0.677
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 82.200
},
{
"type": "Redundancy",
"value": 2.746
},
{
"type": "CC(1/2)",
"value": 0.785
}
]
},
{
"resolution_limits": [1.590,1.540],
"number_observations": 25130,
"number_observations_unique": 8257,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.353
},
{
"type": "R(meas)",
"value": 0.429
},
{
"type": "I/SigI",
"value": 2.940
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.043
},
{
"type": "CC(1/2)",
"value": 0.917
}
]
},
{
"resolution_limits": [1.630,1.590],
"number_observations": 26581,
"number_observations_unique": 7947,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.315
},
{
"type": "R(meas)",
"value": 0.375
},
{
"type": "I/SigI",
"value": 3.600
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.345
},
{
"type": "CC(1/2)",
"value": 0.934
}
]
},
{
"resolution_limits": [1.680,1.630],
"number_observations": 26910,
"number_observations_unique": 7797,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.266
},
{
"type": "R(meas)",
"value": 0.314
},
{
"type": "I/SigI",
"value": 4.380
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.451
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
},
{
"resolution_limits": [1.740,1.680],
"number_observations": 25685,
"number_observations_unique": 7527,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "R(meas)",
"value": 0.238
},
{
"type": "I/SigI",
"value": 5.530
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.412
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [1.800,1.740],
"number_observations": 24388,
"number_observations_unique": 7307,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "R(meas)",
"value": 0.205
},
{
"type": "I/SigI",
"value": 6.360
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.338
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [1.870,1.800],
"number_observations": 22071,
"number_observations_unique": 7028,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(meas)",
"value": 0.150
},
{
"type": "I/SigI",
"value": 8.260
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.140
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [1.940,1.870],
"number_observations": 22249,
"number_observations_unique": 6766,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.128
},
{
"type": "I/SigI",
"value": 10.510
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.288
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [2.030,1.940],
"number_observations": 22403,
"number_observations_unique": 6466,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 13.260
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.465
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.130,2.030],
"number_observations": 21114,
"number_observations_unique": 6237,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 15.880
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.385
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.240,2.130],
"number_observations": 19798,
"number_observations_unique": 5879,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 18.960
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.368
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.380,2.240],
"number_observations": 17264,
"number_observations_unique": 5530,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 20.400
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.122
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.540,2.380],
"number_observations": 17476,
"number_observations_unique": 5210,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 22.930
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.354
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.750,2.540],
"number_observations": 17136,
"number_observations_unique": 4914,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 26.460
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.487
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.010,2.750],
"number_observations": 15064,
"number_observations_unique": 4448,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 28.490
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.387
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.370,3.010],
"number_observations": 12659,
"number_observations_unique": 4022,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 30.150
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.147
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.890,3.370],
"number_observations": 11740,
"number_observations_unique": 3555,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 32.910
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.302
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.760,3.890],
"number_observations": 10682,
"number_observations_unique": 3015,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 35.300
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.543
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.730,4.760],
"number_observations": 7755,
"number_observations_unique": 2335,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 34.440
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.321
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [47.165,6.730],
"number_observations": 4555,
"number_observations_unique": 1273,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 36.700
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.578
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}