Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "473459c48b44a3af42928804ff7a5931",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 78.748,
"b": 99.411,
"c": 80.615,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.600],
"number_observations": 523644,
"number_observations_unique": 42035,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 5.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.500
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.600],
"number_observations_unique": 2089,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.612
},
{
"type": "R(meas)",
"value": 0.639
},
{
"type": "R(pim)",
"value": 0.183
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.100
},
{
"type": "CC(1/2)",
"value": 0.947
}
]
},
{
"resolution_limits": [1.660,1.630],
"number_observations_unique": 2056,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.560
},
{
"type": "R(meas)",
"value": 0.584
},
{
"type": "R(pim)",
"value": 0.162
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 0.947
}
]
},
{
"resolution_limits": [1.690,1.660],
"number_observations_unique": 2066,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.536
},
{
"type": "R(meas)",
"value": 0.558
},
{
"type": "R(pim)",
"value": 0.154
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 0.943
}
]
},
{
"resolution_limits": [1.720,1.690],
"number_observations_unique": 2073,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.462
},
{
"type": "R(meas)",
"value": 0.481
},
{
"type": "R(pim)",
"value": 0.134
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 0.943
}
]
},
{
"resolution_limits": [1.760,1.720],
"number_observations_unique": 2103,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.401
},
{
"type": "R(meas)",
"value": 0.418
},
{
"type": "R(pim)",
"value": 0.117
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.939
}
]
},
{
"resolution_limits": [1.800,1.760],
"number_observations_unique": 2056,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.358
},
{
"type": "R(meas)",
"value": 0.374
},
{
"type": "R(pim)",
"value": 0.106
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.400
},
{
"type": "CC(1/2)",
"value": 0.954
}
]
},
{
"resolution_limits": [1.850,1.800],
"number_observations_unique": 2078,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.301
},
{
"type": "R(meas)",
"value": 0.314
},
{
"type": "R(pim)",
"value": 0.090
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.900
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
{
"resolution_limits": [1.900,1.850],
"number_observations_unique": 2089,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.255
},
{
"type": "R(meas)",
"value": 0.267
},
{
"type": "R(pim)",
"value": 0.077
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.800
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [1.950,1.900],
"number_observations_unique": 2084,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.217
},
{
"type": "R(meas)",
"value": 0.226
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.200
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [2.020,1.950],
"number_observations_unique": 2095,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.188
},
{
"type": "R(meas)",
"value": 0.195
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.000
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [2.090,2.020],
"number_observations_unique": 2087,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "R(meas)",
"value": 0.155
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.170,2.090],
"number_observations_unique": 2096,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.270,2.170],
"number_observations_unique": 2093,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "R(meas)",
"value": 0.133
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.390,2.270],
"number_observations_unique": 2092,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.540,2.390],
"number_observations_unique": 2122,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.740,2.540],
"number_observations_unique": 2090,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.010,2.740],
"number_observations_unique": 2138,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.450,3.010],
"number_observations_unique": 2114,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.340,3.450],
"number_observations_unique": 2152,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [50.000,4.340],
"number_observations_unique": 2262,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}