Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c4093244ef10a7be64b2972bb8e82671",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 171.205,
"b": 29.560,
"c": 59.926,
"alpha": 90.00,
"beta": 101.55,
"gamma": 90.00
},
"wavelengths": [0.97926],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.700],
"number_observations": 157706,
"number_observations_unique": 32886,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations_unique": 1638,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.729
},
{
"type": "R(meas)",
"value": 0.829
},
{
"type": "R(pim)",
"value": 0.389
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.642
}
]
},
{
"resolution_limits": [1.760,1.730],
"number_observations_unique": 1630,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.701
},
{
"type": "R(meas)",
"value": 0.793
},
{
"type": "R(pim)",
"value": 0.366
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.683
}
]
},
{
"resolution_limits": [1.790,1.760],
"number_observations_unique": 1620,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.587
},
{
"type": "R(meas)",
"value": 0.660
},
{
"type": "R(pim)",
"value": 0.299
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.774
}
]
},
{
"resolution_limits": [1.830,1.790],
"number_observations_unique": 1631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.557
},
{
"type": "R(meas)",
"value": 0.625
},
{
"type": "R(pim)",
"value": 0.281
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.811
}
]
},
{
"resolution_limits": [1.870,1.830],
"number_observations_unique": 1641,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.474
},
{
"type": "R(meas)",
"value": 0.532
},
{
"type": "R(pim)",
"value": 0.239
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.836
}
]
},
{
"resolution_limits": [1.910,1.870],
"number_observations_unique": 1621,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.416
},
{
"type": "R(meas)",
"value": 0.466
},
{
"type": "R(pim)",
"value": 0.207
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.879
}
]
},
{
"resolution_limits": [1.960,1.910],
"number_observations_unique": 1658,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.318
},
{
"type": "R(meas)",
"value": 0.356
},
{
"type": "R(pim)",
"value": 0.159
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.925
}
]
},
{
"resolution_limits": [2.020,1.960],
"number_observations_unique": 1602,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.275
},
{
"type": "R(meas)",
"value": 0.308
},
{
"type": "R(pim)",
"value": 0.137
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.939
}
]
},
{
"resolution_limits": [2.070,2.020],
"number_observations_unique": 1640,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.251
},
{
"type": "R(meas)",
"value": 0.281
},
{
"type": "R(pim)",
"value": 0.125
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.947
}
]
},
{
"resolution_limits": [2.140,2.070],
"number_observations_unique": 1641,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.221
},
{
"type": "R(meas)",
"value": 0.248
},
{
"type": "R(pim)",
"value": 0.111
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.940
}
]
},
{
"resolution_limits": [2.220,2.140],
"number_observations_unique": 1645,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.196
},
{
"type": "R(meas)",
"value": 0.219
},
{
"type": "R(pim)",
"value": 0.097
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
},
{
"resolution_limits": [2.310,2.220],
"number_observations_unique": 1640,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.180
},
{
"type": "R(meas)",
"value": 0.202
},
{
"type": "R(pim)",
"value": 0.090
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.956
}
]
},
{
"resolution_limits": [2.410,2.310],
"number_observations_unique": 1630,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "R(meas)",
"value": 0.186
},
{
"type": "R(pim)",
"value": 0.083
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
{
"resolution_limits": [2.540,2.410],
"number_observations_unique": 1639,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "R(meas)",
"value": 0.174
},
{
"type": "R(pim)",
"value": 0.077
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [2.700,2.540],
"number_observations_unique": 1658,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(meas)",
"value": 0.157
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [2.910,2.700],
"number_observations_unique": 1667,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "R(meas)",
"value": 0.143
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [3.200,2.910],
"number_observations_unique": 1634,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [3.660,3.200],
"number_observations_unique": 1673,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [4.610,3.660],
"number_observations_unique": 1661,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [50.000,4.610],
"number_observations_unique": 1717,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}