Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e2e0a75eecb5c91572a87147d12a1bcb",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 146.565,
"b": 146.565,
"c": 122.876,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.150],
"number_observations": 482149,
"number_observations_unique": 80669,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 12.300
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.190,2.150],
"number_observations_unique": 3953,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.294
},
{
"type": "R(meas)",
"value": 0.326
},
{
"type": "R(pim)",
"value": 0.136
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.918
}
]
},
{
"resolution_limits": [2.230,2.190],
"number_observations_unique": 3909,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.282
},
{
"type": "R(meas)",
"value": 0.312
},
{
"type": "R(pim)",
"value": 0.130
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.922
}
]
},
{
"resolution_limits": [2.270,2.230],
"number_observations_unique": 3939,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.267
},
{
"type": "R(meas)",
"value": 0.294
},
{
"type": "R(pim)",
"value": 0.120
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.926
}
]
},
{
"resolution_limits": [2.320,2.270],
"number_observations_unique": 3877,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.237
},
{
"type": "R(meas)",
"value": 0.261
},
{
"type": "R(pim)",
"value": 0.104
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [2.370,2.320],
"number_observations_unique": 3995,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.230
},
{
"type": "R(meas)",
"value": 0.252
},
{
"type": "R(pim)",
"value": 0.100
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
},
{
"resolution_limits": [2.420,2.370],
"number_observations_unique": 3943,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.211
},
{
"type": "R(meas)",
"value": 0.231
},
{
"type": "R(pim)",
"value": 0.091
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [2.480,2.420],
"number_observations_unique": 3933,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.206
},
{
"type": "R(meas)",
"value": 0.224
},
{
"type": "R(pim)",
"value": 0.088
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [2.550,2.480],
"number_observations_unique": 3976,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.185
},
{
"type": "R(meas)",
"value": 0.201
},
{
"type": "R(pim)",
"value": 0.076
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [2.620,2.550],
"number_observations_unique": 4014,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "R(meas)",
"value": 0.193
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [2.710,2.620],
"number_observations_unique": 3959,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "R(meas)",
"value": 0.172
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [2.810,2.710],
"number_observations_unique": 4019,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "R(meas)",
"value": 0.163
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [2.920,2.810],
"number_observations_unique": 4025,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "R(meas)",
"value": 0.154
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [3.050,2.920],
"number_observations_unique": 4023,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "R(meas)",
"value": 0.145
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [3.210,3.050],
"number_observations_unique": 4061,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.139
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [3.410,3.210],
"number_observations_unique": 4121,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [3.680,3.410],
"number_observations_unique": 4103,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [4.050,3.680],
"number_observations_unique": 4114,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [4.630,4.050],
"number_observations_unique": 4171,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [5.830,4.630],
"number_observations_unique": 4203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [50.000,5.830],
"number_observations_unique": 4331,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}