Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "326ad8c1de519ae44eeed011a19413cd",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 35.276,
"b": 55.039,
"c": 74.209,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.10,1.550],
"number_observations": 137609,
"number_observations_unique": 21628,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 13.650
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.410
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.590,1.550],
"number_observations": 9885,
"number_observations_unique": 1552,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.682
},
{
"type": "R(meas)",
"value": 1.833
},
{
"type": "I/SigI",
"value": 1.170
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.369
},
{
"type": "CC(1/2)",
"value": 0.652
}
]
},
{
"resolution_limits": [1.630,1.590],
"number_observations": 9375,
"number_observations_unique": 1538,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.342
},
{
"type": "R(meas)",
"value": 1.469
},
{
"type": "I/SigI",
"value": 1.420
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.096
},
{
"type": "CC(1/2)",
"value": 0.729
}
]
},
{
"resolution_limits": [1.680,1.630],
"number_observations": 9986,
"number_observations_unique": 1498,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.994
},
{
"type": "R(meas)",
"value": 1.078
},
{
"type": "I/SigI",
"value": 1.950
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.666
},
{
"type": "CC(1/2)",
"value": 0.817
}
]
},
{
"resolution_limits": [1.730,1.680],
"number_observations": 9488,
"number_observations_unique": 1426,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.747
},
{
"type": "R(meas)",
"value": 0.810
},
{
"type": "I/SigI",
"value": 2.670
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.654
},
{
"type": "CC(1/2)",
"value": 0.884
}
]
},
{
"resolution_limits": [1.790,1.730],
"number_observations": 9272,
"number_observations_unique": 1407,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.629
},
{
"type": "R(meas)",
"value": 0.682
},
{
"type": "I/SigI",
"value": 3.190
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.590
},
{
"type": "CC(1/2)",
"value": 0.918
}
]
},
{
"resolution_limits": [1.850,1.790],
"number_observations": 8746,
"number_observations_unique": 1357,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.408
},
{
"type": "R(meas)",
"value": 0.444
},
{
"type": "I/SigI",
"value": 4.720
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.445
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
{
"resolution_limits": [1.920,1.850],
"number_observations": 7995,
"number_observations_unique": 1313,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.273
},
{
"type": "R(meas)",
"value": 0.299
},
{
"type": "I/SigI",
"value": 6.680
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.089
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [2.000,1.920],
"number_observations": 8301,
"number_observations_unique": 1265,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "R(meas)",
"value": 0.208
},
{
"type": "I/SigI",
"value": 9.870
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.562
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.090,2.000],
"number_observations": 8198,
"number_observations_unique": 1230,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "R(meas)",
"value": 0.178
},
{
"type": "I/SigI",
"value": 11.630
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.665
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.190,2.090],
"number_observations": 7835,
"number_observations_unique": 1181,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.130
},
{
"type": "I/SigI",
"value": 15.560
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.634
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.310,2.190],
"number_observations": 7206,
"number_observations_unique": 1110,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "I/SigI",
"value": 18.210
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.492
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.450,2.310],
"number_observations": 6393,
"number_observations_unique": 1053,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 21.130
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.071
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.620,2.450],
"number_observations": 6578,
"number_observations_unique": 1011,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 26.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.506
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.830,2.620],
"number_observations": 6182,
"number_observations_unique": 939,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 32.350
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.584
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.100,2.830],
"number_observations": 5475,
"number_observations_unique": 864,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 37.550
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.337
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.470,3.100],
"number_observations": 4497,
"number_observations_unique": 792,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 44.230
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.678
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.000,3.470],
"number_observations": 4106,
"number_observations_unique": 699,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 50.580
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.874
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.900,4.000],
"number_observations": 3774,
"number_observations_unique": 610,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 56.040
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.187
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.930,4.900],
"number_observations": 2681,
"number_observations_unique": 491,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 51.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.460
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [37.110,6.930],
"number_observations": 1636,
"number_observations_unique": 298,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 53.820
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.490
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}