Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "aa1e6c172ae65dc20ba4a1323d687747",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 41.838,
"b": 41.282,
"c": 71.505,
"alpha": 90.00,
"beta": 103.53,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.787,1.696],
"number_observations": 91156,
"number_observations_unique": 36753,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 9.500
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations_unique": 1235,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.573
},
{
"type": "R(meas)",
"value": 0.662
},
{
"type": "R(pim)",
"value": 0.327
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.732
}
]
},
{
"resolution_limits": [1.760,1.730],
"number_observations_unique": 1219,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.506
},
{
"type": "R(meas)",
"value": 0.586
},
{
"type": "R(pim)",
"value": 0.292
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.748
}
]
},
{
"resolution_limits": [1.790,1.760],
"number_observations_unique": 1244,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.466
},
{
"type": "R(meas)",
"value": 0.540
},
{
"type": "R(pim)",
"value": 0.269
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.787
}
]
},
{
"resolution_limits": [1.830,1.790],
"number_observations_unique": 1226,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.354
},
{
"type": "R(meas)",
"value": 0.412
},
{
"type": "R(pim)",
"value": 0.207
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.861
}
]
},
{
"resolution_limits": [1.870,1.830],
"number_observations_unique": 1232,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.293
},
{
"type": "R(meas)",
"value": 0.340
},
{
"type": "R(pim)",
"value": 0.170
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.883
}
]
},
{
"resolution_limits": [1.910,1.870],
"number_observations_unique": 1246,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.249
},
{
"type": "R(meas)",
"value": 0.290
},
{
"type": "R(pim)",
"value": 0.147
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.903
}
]
},
{
"resolution_limits": [1.960,1.910],
"number_observations_unique": 1242,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.209
},
{
"type": "R(meas)",
"value": 0.244
},
{
"type": "R(pim)",
"value": 0.125
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.929
}
]
},
{
"resolution_limits": [2.020,1.960],
"number_observations_unique": 1234,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.190
},
{
"type": "R(meas)",
"value": 0.223
},
{
"type": "R(pim)",
"value": 0.115
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.927
}
]
},
{
"resolution_limits": [2.070,2.020],
"number_observations_unique": 1235,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "R(meas)",
"value": 0.188
},
{
"type": "R(pim)",
"value": 0.098
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.948
}
]
},
{
"resolution_limits": [2.140,2.070],
"number_observations_unique": 1206,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.149
},
{
"type": "R(pim)",
"value": 0.077
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.959
}
]
},
{
"resolution_limits": [2.220,2.140],
"number_observations_unique": 1250,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [2.310,2.220],
"number_observations_unique": 1231,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "Completeness",
"value": 92.300
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [2.410,2.310],
"number_observations_unique": 1196,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "Completeness",
"value": 91.700
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [2.540,2.410],
"number_observations_unique": 1219,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "Completeness",
"value": 92.100
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.700,2.540],
"number_observations_unique": 1249,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.900,2.700],
"number_observations_unique": 1235,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.200,2.900],
"number_observations_unique": 1259,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.660,3.200],
"number_observations_unique": 1246,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [4.600,3.660],
"number_observations_unique": 1242,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "Completeness",
"value": 91.300
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [20.000,4.600],
"number_observations_unique": 1357,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}