Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "93abb9293a34472864e429ec5e10758d",
"space_group_name": "H 3 2",
"unit_cell": {
"a": 237.674,
"b": 237.674,
"c": 112.811,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97870],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,3.100],
"number_observations": 253749,
"number_observations_unique": 22212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.136
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 5.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.400
}
]
},
"refln_shells": [
{
"resolution_limits": [3.150,3.100],
"number_observations_unique": 1110,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.403
},
{
"type": "R(meas)",
"value": 1.468
},
{
"type": "R(pim)",
"value": 0.433
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 0.912
}
]
},
{
"resolution_limits": [3.210,3.150],
"number_observations_unique": 1098,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.111
},
{
"type": "R(meas)",
"value": 1.163
},
{
"type": "R(pim)",
"value": 0.342
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.600
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
{
"resolution_limits": [3.270,3.210],
"number_observations_unique": 1092,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.932
},
{
"type": "R(meas)",
"value": 0.975
},
{
"type": "R(pim)",
"value": 0.287
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
},
{
"resolution_limits": [3.340,3.270],
"number_observations_unique": 1110,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.787
},
{
"type": "R(meas)",
"value": 0.824
},
{
"type": "R(pim)",
"value": 0.242
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.600
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [3.410,3.340],
"number_observations_unique": 1104,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.647
},
{
"type": "R(meas)",
"value": 0.677
},
{
"type": "R(pim)",
"value": 0.199
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [3.490,3.410],
"number_observations_unique": 1086,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.564
},
{
"type": "R(meas)",
"value": 0.590
},
{
"type": "R(pim)",
"value": 0.173
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.600
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [3.580,3.490],
"number_observations_unique": 1105,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.397
},
{
"type": "R(meas)",
"value": 0.416
},
{
"type": "R(pim)",
"value": 0.122
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [3.680,3.580],
"number_observations_unique": 1107,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.356
},
{
"type": "R(meas)",
"value": 0.373
},
{
"type": "R(pim)",
"value": 0.110
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [3.780,3.680],
"number_observations_unique": 1104,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.294
},
{
"type": "R(meas)",
"value": 0.308
},
{
"type": "R(pim)",
"value": 0.091
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.910,3.780],
"number_observations_unique": 1113,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.259
},
{
"type": "R(meas)",
"value": 0.271
},
{
"type": "R(pim)",
"value": 0.080
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [4.040,3.910],
"number_observations_unique": 1095,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.215
},
{
"type": "R(meas)",
"value": 0.225
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.210,4.040],
"number_observations_unique": 1109,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "R(meas)",
"value": 0.182
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.400,4.210],
"number_observations_unique": 1119,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "R(meas)",
"value": 0.149
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.630,4.400],
"number_observations_unique": 1103,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.920,4.630],
"number_observations_unique": 1108,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.300,4.920],
"number_observations_unique": 1108,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.830,5.300],
"number_observations_unique": 1120,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.670,5.830],
"number_observations_unique": 1118,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [8.400,6.670],
"number_observations_unique": 1135,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [50.000,8.400],
"number_observations_unique": 1168,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}