Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2644260300724fa761c6d371b7984a65",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 53.038,
"b": 77.203,
"c": 58.208,
"alpha": 90.00,
"beta": 109.79,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.200],
"number_observations": 146511,
"number_observations_unique": 21891,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 5.800
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
"refln_shells": [
{
"resolution_limits": [2.240,2.200],
"number_observations_unique": 1058,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.533
},
{
"type": "R(meas)",
"value": 0.580
},
{
"type": "R(pim)",
"value": 0.226
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.866
}
]
},
{
"resolution_limits": [2.280,2.240],
"number_observations_unique": 1112,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.472
},
{
"type": "R(meas)",
"value": 0.513
},
{
"type": "R(pim)",
"value": 0.197
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.904
}
]
},
{
"resolution_limits": [2.320,2.280],
"number_observations_unique": 1088,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.421
},
{
"type": "R(meas)",
"value": 0.457
},
{
"type": "R(pim)",
"value": 0.174
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.908
}
]
},
{
"resolution_limits": [2.370,2.320],
"number_observations_unique": 1078,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.414
},
{
"type": "R(meas)",
"value": 0.449
},
{
"type": "R(pim)",
"value": 0.171
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.926
}
]
},
{
"resolution_limits": [2.420,2.370],
"number_observations_unique": 1093,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.352
},
{
"type": "R(meas)",
"value": 0.382
},
{
"type": "R(pim)",
"value": 0.146
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.936
}
]
},
{
"resolution_limits": [2.480,2.420],
"number_observations_unique": 1085,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.301
},
{
"type": "R(meas)",
"value": 0.326
},
{
"type": "R(pim)",
"value": 0.124
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
{
"resolution_limits": [2.540,2.480],
"number_observations_unique": 1115,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.276
},
{
"type": "R(meas)",
"value": 0.300
},
{
"type": "R(pim)",
"value": 0.115
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
{
"resolution_limits": [2.610,2.540],
"number_observations_unique": 1082,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.243
},
{
"type": "R(meas)",
"value": 0.264
},
{
"type": "R(pim)",
"value": 0.102
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [2.690,2.610],
"number_observations_unique": 1101,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.205
},
{
"type": "R(meas)",
"value": 0.222
},
{
"type": "R(pim)",
"value": 0.086
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [2.770,2.690],
"number_observations_unique": 1076,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.187
},
{
"type": "R(meas)",
"value": 0.204
},
{
"type": "R(pim)",
"value": 0.081
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [2.870,2.770],
"number_observations_unique": 996,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "R(meas)",
"value": 0.179
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "Completeness",
"value": 91.500
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [2.990,2.870],
"number_observations_unique": 1133,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "R(meas)",
"value": 0.153
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [3.120,2.990],
"number_observations_unique": 1120,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.141
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [3.290,3.120],
"number_observations_unique": 1095,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [3.490,3.290],
"number_observations_unique": 1104,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.760,3.490],
"number_observations_unique": 1122,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [4.140,3.760],
"number_observations_unique": 1041,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [4.740,4.140],
"number_observations_unique": 1124,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [5.970,4.740],
"number_observations_unique": 1143,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [50.000,5.970],
"number_observations_unique": 1125,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}