Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "aeea301bb65ab3dd5840967d7a088709",
"space_group_name": "P 1",
"unit_cell": {
"a": 67.624,
"b": 67.989,
"c": 85.623,
"alpha": 69.13,
"beta": 67.60,
"gamma": 68.64
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.240],
"number_observations": 103835,
"number_observations_unique": 59023,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 14.400
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 1.800
}
]
},
"refln_shells": [
{
"resolution_limits": [2.280,2.240],
"number_observations_unique": 2898,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.383
},
{
"type": "R(meas)",
"value": 0.542
},
{
"type": "R(pim)",
"value": 0.383
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 1.600
},
{
"type": "CC(1/2)",
"value": 0.716
}
]
},
{
"resolution_limits": [2.320,2.280],
"number_observations_unique": 2950,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.365
},
{
"type": "R(meas)",
"value": 0.517
},
{
"type": "R(pim)",
"value": 0.365
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.750
}
]
},
{
"resolution_limits": [2.360,2.320],
"number_observations_unique": 2918,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.308
},
{
"type": "R(meas)",
"value": 0.436
},
{
"type": "R(pim)",
"value": 0.308
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.804
}
]
},
{
"resolution_limits": [2.410,2.360],
"number_observations_unique": 2979,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.275
},
{
"type": "R(meas)",
"value": 0.389
},
{
"type": "R(pim)",
"value": 0.275
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.835
}
]
},
{
"resolution_limits": [2.470,2.410],
"number_observations_unique": 2905,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.233
},
{
"type": "R(meas)",
"value": 0.329
},
{
"type": "R(pim)",
"value": 0.233
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.875
}
]
},
{
"resolution_limits": [2.520,2.470],
"number_observations_unique": 2974,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.208
},
{
"type": "R(meas)",
"value": 0.295
},
{
"type": "R(pim)",
"value": 0.208
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.889
}
]
},
{
"resolution_limits": [2.590,2.520],
"number_observations_unique": 2962,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "R(meas)",
"value": 0.233
},
{
"type": "R(pim)",
"value": 0.165
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.931
}
]
},
{
"resolution_limits": [2.660,2.590],
"number_observations_unique": 2900,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "R(meas)",
"value": 0.182
},
{
"type": "R(pim)",
"value": 0.128
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.953
}
]
},
{
"resolution_limits": [2.730,2.660],
"number_observations_unique": 2967,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.141
},
{
"type": "R(pim)",
"value": 0.100
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [2.820,2.730],
"number_observations_unique": 2973,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [2.920,2.820],
"number_observations_unique": 2933,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [3.040,2.920],
"number_observations_unique": 2964,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.180,3.040],
"number_observations_unique": 2949,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.350,3.180],
"number_observations_unique": 2952,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.560,3.350],
"number_observations_unique": 2950,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.830,3.560],
"number_observations_unique": 2957,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.220,3.830],
"number_observations_unique": 3015,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.820,4.220],
"number_observations_unique": 2965,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [6.080,4.820],
"number_observations_unique": 2979,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [50.000,6.080],
"number_observations_unique": 2933,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}