Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e34b562f7f3b1d73e643a426001a42ab",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 38.520,
"b": 74.644,
"c": 50.358,
"alpha": 90.00,
"beta": 99.23,
"gamma": 90.00
},
"wavelengths": [0.97890],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.8480],
"number_observations_unique": 22527,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
"refln_shells": [
{
"resolution_limits": [1.880,1.850],
"number_observations_unique": 1167,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.261
},
{
"type": "R(meas)",
"value": 0.306
},
{
"type": "R(pim)",
"value": 0.158
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.901
}
]
},
{
"resolution_limits": [1.920,1.880],
"number_observations_unique": 1133,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.253
},
{
"type": "R(meas)",
"value": 0.296
},
{
"type": "R(pim)",
"value": 0.152
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.930
}
]
},
{
"resolution_limits": [1.950,1.920],
"number_observations_unique": 1154,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.232
},
{
"type": "R(meas)",
"value": 0.272
},
{
"type": "R(pim)",
"value": 0.140
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.936
}
]
},
{
"resolution_limits": [1.990,1.950],
"number_observations_unique": 1137,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "R(meas)",
"value": 0.237
},
{
"type": "R(pim)",
"value": 0.123
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.934
}
]
},
{
"resolution_limits": [2.040,1.990],
"number_observations_unique": 1125,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.185
},
{
"type": "R(meas)",
"value": 0.217
},
{
"type": "R(pim)",
"value": 0.112
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.947
}
]
},
{
"resolution_limits": [2.080,2.040],
"number_observations_unique": 1113,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "R(meas)",
"value": 0.218
},
{
"type": "R(pim)",
"value": 0.112
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
},
{
"resolution_limits": [2.140,2.080],
"number_observations_unique": 1103,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "R(meas)",
"value": 0.203
},
{
"type": "R(pim)",
"value": 0.104
},
{
"type": "Completeness",
"value": 90.000
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
},
{
"resolution_limits": [2.190,2.140],
"number_observations_unique": 1018,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "R(meas)",
"value": 0.198
},
{
"type": "R(pim)",
"value": 0.102
},
{
"type": "Completeness",
"value": 84.600
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [2.260,2.190],
"number_observations_unique": 1149,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(meas)",
"value": 0.167
},
{
"type": "R(pim)",
"value": 0.085
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [2.330,2.260],
"number_observations_unique": 1157,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "R(meas)",
"value": 0.155
},
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [2.410,2.330],
"number_observations_unique": 1173,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.148
},
{
"type": "R(pim)",
"value": 0.077
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [2.510,2.410],
"number_observations_unique": 1125,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "R(pim)",
"value": 0.071
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [2.630,2.510],
"number_observations_unique": 1125,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "Completeness",
"value": 92.800
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [2.760,2.630],
"number_observations_unique": 1086,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "Completeness",
"value": 89.800
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [2.940,2.760],
"number_observations_unique": 1081,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "Completeness",
"value": 89.600
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [3.160,2.940],
"number_observations_unique": 1168,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [3.480,3.160],
"number_observations_unique": 1146,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [3.990,3.480],
"number_observations_unique": 1097,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "Completeness",
"value": 90.400
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [5.020,3.990],
"number_observations_unique": 1108,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "Completeness",
"value": 90.400
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [50.000,5.020],
"number_observations_unique": 1162,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}