Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "82de268469b9c9e8abe90115064bdd6f",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 74.378,
"b": 76.440,
"c": 128.664,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.27],
"number_observations": 78624,
"number_observations_unique": 29178,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 84.800
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
"refln_shells": [
{
"resolution_limits": [2.340,2.300],
"number_observations_unique": 1483,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.490
},
{
"type": "R(meas)",
"value": 0.596
},
{
"type": "R(pim)",
"value": 0.331
},
{
"type": "Completeness",
"value": 88.200
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.728
}
]
},
{
"resolution_limits": [2.380,2.340],
"number_observations_unique": 1497,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.441
},
{
"type": "R(meas)",
"value": 0.535
},
{
"type": "R(pim)",
"value": 0.295
},
{
"type": "Completeness",
"value": 88.600
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.761
}
]
},
{
"resolution_limits": [2.430,2.380],
"number_observations_unique": 1510,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.399
},
{
"type": "R(meas)",
"value": 0.485
},
{
"type": "R(pim)",
"value": 0.270
},
{
"type": "Completeness",
"value": 89.200
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.790
}
]
},
{
"resolution_limits": [2.480,2.430],
"number_observations_unique": 1507,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.352
},
{
"type": "R(meas)",
"value": 0.425
},
{
"type": "R(pim)",
"value": 0.232
},
{
"type": "Completeness",
"value": 89.000
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.848
}
]
},
{
"resolution_limits": [2.530,2.480],
"number_observations_unique": 1509,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.321
},
{
"type": "R(meas)",
"value": 0.386
},
{
"type": "R(pim)",
"value": 0.210
},
{
"type": "Completeness",
"value": 89.400
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.876
}
]
},
{
"resolution_limits": [2.590,2.530],
"number_observations_unique": 1505,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.286
},
{
"type": "R(meas)",
"value": 0.346
},
{
"type": "R(pim)",
"value": 0.191
},
{
"type": "Completeness",
"value": 87.900
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.882
}
]
},
{
"resolution_limits": [2.660,2.590],
"number_observations_unique": 1502,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.260
},
{
"type": "R(meas)",
"value": 0.314
},
{
"type": "R(pim)",
"value": 0.172
},
{
"type": "Completeness",
"value": 89.100
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.905
}
]
},
{
"resolution_limits": [2.730,2.660],
"number_observations_unique": 1503,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.225
},
{
"type": "R(meas)",
"value": 0.270
},
{
"type": "R(pim)",
"value": 0.145
},
{
"type": "Completeness",
"value": 89.000
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.930
}
]
},
{
"resolution_limits": [2.810,2.730],
"number_observations_unique": 1488,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "R(meas)",
"value": 0.228
},
{
"type": "R(pim)",
"value": 0.124
},
{
"type": "Completeness",
"value": 87.400
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.948
}
]
},
{
"resolution_limits": [2.900,2.810],
"number_observations_unique": 1506,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "R(meas)",
"value": 0.207
},
{
"type": "R(pim)",
"value": 0.113
},
{
"type": "Completeness",
"value": 87.900
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.953
}
]
},
{
"resolution_limits": [3.000,2.900],
"number_observations_unique": 1498,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "R(meas)",
"value": 0.182
},
{
"type": "R(pim)",
"value": 0.099
},
{
"type": "Completeness",
"value": 86.800
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
},
{
"resolution_limits": [3.120,3.000],
"number_observations_unique": 1449,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "R(meas)",
"value": 0.180
},
{
"type": "R(pim)",
"value": 0.097
},
{
"type": "Completeness",
"value": 85.000
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
{
"resolution_limits": [3.260,3.120],
"number_observations_unique": 1464,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.139
},
{
"type": "R(pim)",
"value": 0.076
},
{
"type": "Completeness",
"value": 85.300
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [3.440,3.260],
"number_observations_unique": 1438,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "Completeness",
"value": 84.200
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [3.650,3.440],
"number_observations_unique": 1416,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "Completeness",
"value": 82.500
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [3.930,3.650],
"number_observations_unique": 1393,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "Completeness",
"value": 80.100
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [4.330,3.930],
"number_observations_unique": 1399,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "Completeness",
"value": 80.200
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [4.950,4.330],
"number_observations_unique": 1356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "Completeness",
"value": 77.400
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [6.240,4.950],
"number_observations_unique": 1418,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "Completeness",
"value": 80.000
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [50.000,6.240],
"number_observations_unique": 1337,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "Completeness",
"value": 71.000
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}