Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6ed72d844b6af865276dcbf1d31f8eca",
"space_group_name": "P 1",
"unit_cell": {
"a": 66.017,
"b": 67.215,
"c": 87.669,
"alpha": 68.10,
"beta": 68.43,
"gamma": 83.07
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.700],
"number_observations": 565211,
"number_observations_unique": 137833,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 10.900
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations_unique": 6836,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.001
},
{
"type": "R(meas)",
"value": 1.157
},
{
"type": "R(pim)",
"value": 0.576
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.646
}
]
},
{
"resolution_limits": [1.760,1.730],
"number_observations_unique": 6792,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.869
},
{
"type": "R(meas)",
"value": 1.001
},
{
"type": "R(pim)",
"value": 0.496
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.732
}
]
},
{
"resolution_limits": [1.790,1.760],
"number_observations_unique": 6828,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.742
},
{
"type": "R(meas)",
"value": 0.855
},
{
"type": "R(pim)",
"value": 0.423
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.798
}
]
},
{
"resolution_limits": [1.830,1.790],
"number_observations_unique": 6849,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.664
},
{
"type": "R(meas)",
"value": 0.765
},
{
"type": "R(pim)",
"value": 0.378
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.856
}
]
},
{
"resolution_limits": [1.870,1.830],
"number_observations_unique": 6822,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.462
},
{
"type": "R(meas)",
"value": 0.532
},
{
"type": "R(pim)",
"value": 0.263
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.910
}
]
},
{
"resolution_limits": [1.910,1.870],
"number_observations_unique": 6854,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.404
},
{
"type": "R(meas)",
"value": 0.465
},
{
"type": "R(pim)",
"value": 0.229
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.925
}
]
},
{
"resolution_limits": [1.960,1.910],
"number_observations_unique": 6867,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.336
},
{
"type": "R(meas)",
"value": 0.387
},
{
"type": "R(pim)",
"value": 0.190
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.941
}
]
},
{
"resolution_limits": [2.020,1.960],
"number_observations_unique": 6858,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.276
},
{
"type": "R(meas)",
"value": 0.317
},
{
"type": "R(pim)",
"value": 0.156
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.952
}
]
},
{
"resolution_limits": [2.070,2.020],
"number_observations_unique": 6826,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "R(meas)",
"value": 0.238
},
{
"type": "R(pim)",
"value": 0.117
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [2.140,2.070],
"number_observations_unique": 6945,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "R(meas)",
"value": 0.200
},
{
"type": "R(pim)",
"value": 0.098
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [2.220,2.140],
"number_observations_unique": 6888,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.150
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.310,2.220],
"number_observations_unique": 6935,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.410,2.310],
"number_observations_unique": 6902,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.540,2.410],
"number_observations_unique": 6961,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.700,2.540],
"number_observations_unique": 6924,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.910,2.700],
"number_observations_unique": 6931,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.200,2.910],
"number_observations_unique": 6930,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.660,3.200],
"number_observations_unique": 6894,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.610,3.660],
"number_observations_unique": 7064,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [50.000,4.610],
"number_observations_unique": 6927,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}