Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "181b647849f30a531b4b9e3017d87fb1",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 107.821,
"b": 107.821,
"c": 175.098,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97775],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.420],
"number_observations_unique": 41233,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.460,2.420],
"number_observations_unique": 2260,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.792
},
{
"type": "R(meas)",
"value": 0.833
},
{
"type": "R(pim)",
"value": 0.253
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.500
},
{
"type": "CC(1/2)",
"value": 0.947
}
]
},
{
"resolution_limits": [2.510,2.460],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.696
},
{
"type": "R(meas)",
"value": 0.731
},
{
"type": "R(pim)",
"value": 0.221
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.700
},
{
"type": "CC(1/2)",
"value": 0.940
}
]
},
{
"resolution_limits": [2.550,2.510],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.607
},
{
"type": "R(meas)",
"value": 0.639
},
{
"type": "R(pim)",
"value": 0.196
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.400
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [2.610,2.550],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.577
},
{
"type": "R(meas)",
"value": 0.604
},
{
"type": "R(pim)",
"value": 0.174
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.800
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [2.660,2.610],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.551
},
{
"type": "R(meas)",
"value": 0.574
},
{
"type": "R(pim)",
"value": 0.161
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [2.730,2.660],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.470
},
{
"type": "R(meas)",
"value": 0.490
},
{
"type": "R(pim)",
"value": 0.137
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [2.790,2.730],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.404
},
{
"type": "R(meas)",
"value": 0.422
},
{
"type": "R(pim)",
"value": 0.118
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [2.870,2.790],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.319
},
{
"type": "R(meas)",
"value": 0.333
},
{
"type": "R(pim)",
"value": 0.094
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.400
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [2.950,2.870],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.284
},
{
"type": "R(meas)",
"value": 0.296
},
{
"type": "R(pim)",
"value": 0.085
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [3.050,2.950],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.242
},
{
"type": "R(meas)",
"value": 0.253
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.900
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.160,3.050],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.204
},
{
"type": "R(meas)",
"value": 0.214
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.400
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [3.280,3.160],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "R(meas)",
"value": 0.175
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.430,3.280],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "R(meas)",
"value": 0.142
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.610,3.430],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.840,3.610],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.140,3.840],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.550,4.140],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.210,4.550],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.560,5.210],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [50.000,6.560],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 11.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}