Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fa595eae4994f9c26fcc9ca1413b22af",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.60,
"b": 112.39,
"c": 62.69,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91841],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.680,1.110],
"number_observations": 390760,
"number_observations_unique": 111528,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 13.190
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.504
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.140,1.110],
"number_observations": 19502,
"number_observations_unique": 7020,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.636
},
{
"type": "R(meas)",
"value": 0.780
},
{
"type": "I/SigI",
"value": 1.750
},
{
"type": "Completeness",
"value": 83.500
},
{
"type": "Redundancy",
"value": 2.778
},
{
"type": "CC(1/2)",
"value": 0.633
}
]
},
{
"resolution_limits": [1.170,1.140],
"number_observations": 25607,
"number_observations_unique": 7804,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.463
},
{
"type": "R(meas)",
"value": 0.553
},
{
"type": "I/SigI",
"value": 2.510
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 3.281
},
{
"type": "CC(1/2)",
"value": 0.795
}
]
},
{
"resolution_limits": [1.210,1.170],
"number_observations": 24068,
"number_observations_unique": 7649,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.397
},
{
"type": "R(meas)",
"value": 0.477
},
{
"type": "I/SigI",
"value": 2.810
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 3.147
},
{
"type": "CC(1/2)",
"value": 0.829
}
]
},
{
"resolution_limits": [1.240,1.210],
"number_observations": 25845,
"number_observations_unique": 7488,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.338
},
{
"type": "R(meas)",
"value": 0.399
},
{
"type": "I/SigI",
"value": 3.480
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.452
},
{
"type": "CC(1/2)",
"value": 0.876
}
]
},
{
"resolution_limits": [1.280,1.240],
"number_observations": 25720,
"number_observations_unique": 7387,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.291
},
{
"type": "R(meas)",
"value": 0.343
},
{
"type": "I/SigI",
"value": 4.050
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.482
},
{
"type": "CC(1/2)",
"value": 0.903
}
]
},
{
"resolution_limits": [1.330,1.280],
"number_observations": 24896,
"number_observations_unique": 7167,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.238
},
{
"type": "R(meas)",
"value": 0.280
},
{
"type": "I/SigI",
"value": 4.950
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.474
},
{
"type": "CC(1/2)",
"value": 0.930
}
]
},
{
"resolution_limits": [1.380,1.330],
"number_observations": 23610,
"number_observations_unique": 6986,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.200
},
{
"type": "R(meas)",
"value": 0.238
},
{
"type": "I/SigI",
"value": 5.690
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.380
},
{
"type": "CC(1/2)",
"value": 0.946
}
]
},
{
"resolution_limits": [1.440,1.380],
"number_observations": 24162,
"number_observations_unique": 6675,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "R(meas)",
"value": 0.206
},
{
"type": "I/SigI",
"value": 6.720
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.620
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
},
{
"resolution_limits": [1.500,1.440],
"number_observations": 24375,
"number_observations_unique": 6472,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.151
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.766
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [1.570,1.500],
"number_observations": 23037,
"number_observations_unique": 6146,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "I/SigI",
"value": 11.250
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.748
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [1.660,1.570],
"number_observations": 21416,
"number_observations_unique": 5890,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 13.160
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.636
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [1.760,1.660],
"number_observations": 19496,
"number_observations_unique": 5579,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 15.470
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.495
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [1.880,1.760],
"number_observations": 20299,
"number_observations_unique": 5235,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 19.230
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.878
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.030,1.880],
"number_observations": 18732,
"number_observations_unique": 4900,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 24.070
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.823
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.220,2.030],
"number_observations": 16821,
"number_observations_unique": 4498,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 30.100
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.740
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.490,2.220],
"number_observations": 14093,
"number_observations_unique": 4086,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 33.460
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.449
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.870,2.490],
"number_observations": 13951,
"number_observations_unique": 3629,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 38.840
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.844
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.520,2.870],
"number_observations": 11688,
"number_observations_unique": 3097,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 44.400
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.774
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.970,3.520],
"number_observations": 8283,
"number_observations_unique": 2427,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 46.590
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.413
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [45.680,4.970],
"number_observations": 5159,
"number_observations_unique": 1393,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 48.080
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.704
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}