Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "17b6d818d1569df917813a3cbb13ea03",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 64.069,
"b": 245.424,
"c": 71.298,
"alpha": 90.00,
"beta": 112.46,
"gamma": 90.00
},
"wavelengths": [1.07160],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.850],
"number_observations": 108611,
"number_observations_unique": 42408,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "R(meas)",
"value": 0.182
},
{
"type": "R(pim)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 89.000
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
"refln_shells": [
{
"resolution_limits": [2.900,2.850],
"number_observations_unique": 2114,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.589
},
{
"type": "R(meas)",
"value": 0.721
},
{
"type": "R(pim)",
"value": 0.409
},
{
"type": "Completeness",
"value": 90.300
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.661
}
]
},
{
"resolution_limits": [2.950,2.900],
"number_observations_unique": 2232,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.562
},
{
"type": "R(meas)",
"value": 0.685
},
{
"type": "R(pim)",
"value": 0.385
},
{
"type": "Completeness",
"value": 92.000
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.693
}
]
},
{
"resolution_limits": [3.010,2.950],
"number_observations_unique": 2110,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.501
},
{
"type": "R(meas)",
"value": 0.610
},
{
"type": "R(pim)",
"value": 0.342
},
{
"type": "Completeness",
"value": 90.600
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.759
}
]
},
{
"resolution_limits": [3.070,3.010],
"number_observations_unique": 2093,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.501
},
{
"type": "R(meas)",
"value": 0.630
},
{
"type": "R(pim)",
"value": 0.375
},
{
"type": "Completeness",
"value": 86.700
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.722
}
]
},
{
"resolution_limits": [3.140,3.070],
"number_observations_unique": 2112,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.437
},
{
"type": "R(meas)",
"value": 0.536
},
{
"type": "R(pim)",
"value": 0.304
},
{
"type": "Completeness",
"value": 91.100
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.800
}
]
},
{
"resolution_limits": [3.210,3.140],
"number_observations_unique": 2223,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.393
},
{
"type": "R(meas)",
"value": 0.478
},
{
"type": "R(pim)",
"value": 0.268
},
{
"type": "Completeness",
"value": 91.100
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.836
}
]
},
{
"resolution_limits": [3.290,3.210],
"number_observations_unique": 2169,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.368
},
{
"type": "R(meas)",
"value": 0.450
},
{
"type": "R(pim)",
"value": 0.254
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.866
}
]
},
{
"resolution_limits": [3.380,3.290],
"number_observations_unique": 2184,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.323
},
{
"type": "R(meas)",
"value": 0.395
},
{
"type": "R(pim)",
"value": 0.225
},
{
"type": "Completeness",
"value": 90.100
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.892
}
]
},
{
"resolution_limits": [3.480,3.380],
"number_observations_unique": 1953,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.306
},
{
"type": "R(meas)",
"value": 0.389
},
{
"type": "R(pim)",
"value": 0.237
},
{
"type": "Completeness",
"value": 83.400
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
{
"resolution_limits": [3.590,3.480],
"number_observations_unique": 2100,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.317
},
{
"type": "R(meas)",
"value": 0.393
},
{
"type": "R(pim)",
"value": 0.228
},
{
"type": "Completeness",
"value": 87.900
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.900
}
]
},
{
"resolution_limits": [3.720,3.590],
"number_observations_unique": 1952,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.237
},
{
"type": "R(meas)",
"value": 0.301
},
{
"type": "R(pim)",
"value": 0.183
},
{
"type": "Completeness",
"value": 82.200
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.933
}
]
},
{
"resolution_limits": [3.870,3.720],
"number_observations_unique": 1993,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.270
},
{
"type": "R(meas)",
"value": 0.344
},
{
"type": "R(pim)",
"value": 0.209
},
{
"type": "Completeness",
"value": 84.600
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.926
}
]
},
{
"resolution_limits": [4.040,3.870],
"number_observations_unique": 2007,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "R(meas)",
"value": 0.220
},
{
"type": "R(pim)",
"value": 0.134
},
{
"type": "Completeness",
"value": 83.800
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [4.260,4.040],
"number_observations_unique": 2101,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "R(meas)",
"value": 0.184
},
{
"type": "R(pim)",
"value": 0.110
},
{
"type": "Completeness",
"value": 87.900
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [4.520,4.260],
"number_observations_unique": 2096,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.149
},
{
"type": "R(pim)",
"value": 0.090
},
{
"type": "Completeness",
"value": 88.100
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [4.870,4.520],
"number_observations_unique": 2119,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.136
},
{
"type": "R(pim)",
"value": 0.084
},
{
"type": "Completeness",
"value": 89.100
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [5.360,4.870],
"number_observations_unique": 2166,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "Completeness",
"value": 90.500
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [6.140,5.360],
"number_observations_unique": 2266,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "R(pim)",
"value": 0.074
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [7.730,6.140],
"number_observations_unique": 2202,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "Completeness",
"value": 91.600
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [50.000,7.730],
"number_observations_unique": 2216,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "Completeness",
"value": 91.300
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}