Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "79e5a9a024e6b7890d4a7280744acb04",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 214.676,
"b": 453.509,
"c": 609.501,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [146.724,3.500],
"number_observations": 2365932,
"number_observations_unique": 729135,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.213
},
{
"type": "R(meas)",
"value": 0.255
},
{
"type": "I/SigI",
"value": 5.980
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.245
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [3.590,3.500],
"number_observations": 167032,
"number_observations_unique": 51384,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.136
},
{
"type": "R(meas)",
"value": 1.362
},
{
"type": "I/SigI",
"value": 1.070
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 3.251
},
{
"type": "CC(1/2)",
"value": 0.352
}
]
},
{
"resolution_limits": [3.680,3.590],
"number_observations": 174256,
"number_observations_unique": 52931,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.908
},
{
"type": "R(meas)",
"value": 1.087
},
{
"type": "I/SigI",
"value": 1.360
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.292
},
{
"type": "CC(1/2)",
"value": 0.462
}
]
},
{
"resolution_limits": [3.790,3.680],
"number_observations": 168158,
"number_observations_unique": 51316,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.739
},
{
"type": "R(meas)",
"value": 0.884
},
{
"type": "I/SigI",
"value": 1.680
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.277
},
{
"type": "CC(1/2)",
"value": 0.558
}
]
},
{
"resolution_limits": [3.910,3.790],
"number_observations": 161331,
"number_observations_unique": 49945,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.598
},
{
"type": "R(meas)",
"value": 0.718
},
{
"type": "I/SigI",
"value": 2.050
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.230
},
{
"type": "CC(1/2)",
"value": 0.661
}
]
},
{
"resolution_limits": [4.040,3.910],
"number_observations": 150707,
"number_observations_unique": 48091,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.507
},
{
"type": "R(meas)",
"value": 0.611
},
{
"type": "I/SigI",
"value": 2.380
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.134
},
{
"type": "CC(1/2)",
"value": 0.715
}
]
},
{
"resolution_limits": [4.180,4.040],
"number_observations": 137733,
"number_observations_unique": 45742,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.416
},
{
"type": "R(meas)",
"value": 0.504
},
{
"type": "I/SigI",
"value": 2.770
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.011
},
{
"type": "CC(1/2)",
"value": 0.782
}
]
},
{
"resolution_limits": [4.340,4.180],
"number_observations": 152135,
"number_observations_unique": 45440,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.349
},
{
"type": "R(meas)",
"value": 0.417
},
{
"type": "I/SigI",
"value": 3.520
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.348
},
{
"type": "CC(1/2)",
"value": 0.852
}
]
},
{
"resolution_limits": [4.510,4.340],
"number_observations": 145956,
"number_observations_unique": 43653,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.293
},
{
"type": "R(meas)",
"value": 0.349
},
{
"type": "I/SigI",
"value": 4.130
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.344
},
{
"type": "CC(1/2)",
"value": 0.890
}
]
},
{
"resolution_limits": [4.710,4.510],
"number_observations": 138688,
"number_observations_unique": 41816,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.250
},
{
"type": "R(meas)",
"value": 0.299
},
{
"type": "I/SigI",
"value": 4.780
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.317
},
{
"type": "CC(1/2)",
"value": 0.913
}
]
},
{
"resolution_limits": [4.940,4.710],
"number_observations": 130973,
"number_observations_unique": 39892,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.217
},
{
"type": "R(meas)",
"value": 0.260
},
{
"type": "I/SigI",
"value": 5.360
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.283
},
{
"type": "CC(1/2)",
"value": 0.931
}
]
},
{
"resolution_limits": [5.210,4.940],
"number_observations": 121665,
"number_observations_unique": 37671,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.185
},
{
"type": "R(meas)",
"value": 0.221
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.230
},
{
"type": "CC(1/2)",
"value": 0.948
}
]
},
{
"resolution_limits": [5.530,5.210],
"number_observations": 106081,
"number_observations_unique": 35039,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "R(meas)",
"value": 0.189
},
{
"type": "I/SigI",
"value": 6.940
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 3.028
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
{
"resolution_limits": [5.910,5.530],
"number_observations": 114712,
"number_observations_unique": 33932,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "R(meas)",
"value": 0.176
},
{
"type": "I/SigI",
"value": 7.810
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.381
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [6.380,5.910],
"number_observations": 106116,
"number_observations_unique": 31666,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(meas)",
"value": 0.167
},
{
"type": "I/SigI",
"value": 8.150
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.351
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
{
"resolution_limits": [6.990,6.380],
"number_observations": 96048,
"number_observations_unique": 28952,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.144
},
{
"type": "I/SigI",
"value": 9.250
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.317
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [7.820,6.990],
"number_observations": 82291,
"number_observations_unique": 25861,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "I/SigI",
"value": 11.570
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.182
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [9.020,7.820],
"number_observations": 72022,
"number_observations_unique": 22752,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 14.150
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 3.166
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [11.050,9.020],
"number_observations": 65519,
"number_observations_unique": 19681,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 19.860
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.329
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [15.630,11.050],
"number_observations": 47398,
"number_observations_unique": 14995,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 27.100
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 3.161
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [146.724,15.630],
"number_observations": 27111,
"number_observations_unique": 8376,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 43.760
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 3.237
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}