Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "05dde44b2ea8e219a89f5bb752058642",
"space_group_name": "H 3",
"unit_cell": {
"a": 136.69,
"b": 136.69,
"c": 236.14,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.87,2.590],
"number_observations": 247733,
"number_observations_unique": 50904,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "I/SigI",
"value": 10.080
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.867
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.660,2.590],
"number_observations": 17902,
"number_observations_unique": 3672,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.730
},
{
"type": "R(meas)",
"value": 3.066
},
{
"type": "I/SigI",
"value": 0.620
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 4.875
},
{
"type": "CC(1/2)",
"value": 0.191
}
]
},
{
"resolution_limits": [2.730,2.660],
"number_observations": 17637,
"number_observations_unique": 3641,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.954
},
{
"type": "R(meas)",
"value": 2.195
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.844
},
{
"type": "CC(1/2)",
"value": 0.306
}
]
},
{
"resolution_limits": [2.810,2.730],
"number_observations": 17368,
"number_observations_unique": 3566,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.661
},
{
"type": "R(meas)",
"value": 1.865
},
{
"type": "I/SigI",
"value": 1.090
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.870
},
{
"type": "CC(1/2)",
"value": 0.365
}
]
},
{
"resolution_limits": [2.900,2.810],
"number_observations": 16873,
"number_observations_unique": 3454,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.264
},
{
"type": "R(meas)",
"value": 1.417
},
{
"type": "I/SigI",
"value": 1.430
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.885
},
{
"type": "CC(1/2)",
"value": 0.521
}
]
},
{
"resolution_limits": [2.990,2.900],
"number_observations": 16643,
"number_observations_unique": 3407,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.942
},
{
"type": "R(meas)",
"value": 1.056
},
{
"type": "I/SigI",
"value": 1.910
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.885
},
{
"type": "CC(1/2)",
"value": 0.652
}
]
},
{
"resolution_limits": [3.100,2.990],
"number_observations": 16149,
"number_observations_unique": 3303,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.696
},
{
"type": "R(meas)",
"value": 0.780
},
{
"type": "I/SigI",
"value": 2.660
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.889
},
{
"type": "CC(1/2)",
"value": 0.779
}
]
},
{
"resolution_limits": [3.210,3.100],
"number_observations": 15129,
"number_observations_unique": 3093,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.511
},
{
"type": "R(meas)",
"value": 0.572
},
{
"type": "I/SigI",
"value": 3.580
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.891
},
{
"type": "CC(1/2)",
"value": 0.867
}
]
},
{
"resolution_limits": [3.340,3.210],
"number_observations": 15014,
"number_observations_unique": 3059,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.355
},
{
"type": "R(meas)",
"value": 0.397
},
{
"type": "I/SigI",
"value": 5.030
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.908
},
{
"type": "CC(1/2)",
"value": 0.931
}
]
},
{
"resolution_limits": [3.490,3.340],
"number_observations": 14006,
"number_observations_unique": 2881,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.244
},
{
"type": "R(meas)",
"value": 0.273
},
{
"type": "I/SigI",
"value": 7.240
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.862
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [3.660,3.490],
"number_observations": 13555,
"number_observations_unique": 2778,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "R(meas)",
"value": 0.211
},
{
"type": "I/SigI",
"value": 9.070
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.879
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [3.860,3.660],
"number_observations": 12588,
"number_observations_unique": 2643,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
"value": 0.149
},
{
"type": "I/SigI",
"value": 12.540
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.763
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [4.100,3.860],
"number_observations": 11907,
"number_observations_unique": 2491,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 15.780
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.780
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [4.380,4.100],
"number_observations": 11523,
"number_observations_unique": 2351,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 19.730
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.901
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.730,4.380],
"number_observations": 10556,
"number_observations_unique": 2165,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 23.610
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.876
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.180,4.730],
"number_observations": 9928,
"number_observations_unique": 2036,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 25.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.876
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.790,5.180],
"number_observations": 8830,
"number_observations_unique": 1800,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 25.340
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.906
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.690,5.790],
"number_observations": 7888,
"number_observations_unique": 1611,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 26.040
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.896
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [8.190,6.690],
"number_observations": 6679,
"number_observations_unique": 1363,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 31.850
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [11.580,8.190],
"number_observations": 4980,
"number_observations_unique": 1030,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 36.720
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.835
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [43.870,11.580],
"number_observations": 2578,
"number_observations_unique": 560,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 37.030
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 4.604
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}