Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1a7b8248bed6c382441ed89bee7e33e7",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 84.116,
"b": 91.746,
"c": 120.492,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99992],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.87,1.620],
"number_observations": 783026,
"number_observations_unique": 118316,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 15.820
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.618
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.660,1.620],
"number_observations": 57133,
"number_observations_unique": 8614,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.186
},
{
"type": "R(meas)",
"value": 2.370
},
{
"type": "I/SigI",
"value": 0.860
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.633
},
{
"type": "CC(1/2)",
"value": 0.365
}
]
},
{
"resolution_limits": [1.710,1.660],
"number_observations": 52690,
"number_observations_unique": 8379,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.631
},
{
"type": "R(meas)",
"value": 1.777
},
{
"type": "I/SigI",
"value": 1.160
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.288
},
{
"type": "CC(1/2)",
"value": 0.467
}
]
},
{
"resolution_limits": [1.760,1.710],
"number_observations": 56109,
"number_observations_unique": 8194,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.176
},
{
"type": "R(meas)",
"value": 1.270
},
{
"type": "I/SigI",
"value": 1.690
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.848
},
{
"type": "CC(1/2)",
"value": 0.642
}
]
},
{
"resolution_limits": [1.810,1.760],
"number_observations": 54920,
"number_observations_unique": 7950,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.827
},
{
"type": "R(meas)",
"value": 0.893
},
{
"type": "I/SigI",
"value": 2.460
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.908
},
{
"type": "CC(1/2)",
"value": 0.788
}
]
},
{
"resolution_limits": [1.870,1.810],
"number_observations": 53049,
"number_observations_unique": 7753,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.631
},
{
"type": "R(meas)",
"value": 0.682
},
{
"type": "I/SigI",
"value": 3.270
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.842
},
{
"type": "CC(1/2)",
"value": 0.864
}
]
},
{
"resolution_limits": [1.940,1.870],
"number_observations": 50217,
"number_observations_unique": 7485,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.498
},
{
"type": "R(meas)",
"value": 0.539
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.709
},
{
"type": "CC(1/2)",
"value": 0.906
}
]
},
{
"resolution_limits": [2.010,1.940],
"number_observations": 46102,
"number_observations_unique": 7246,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.334
},
{
"type": "R(meas)",
"value": 0.364
},
{
"type": "I/SigI",
"value": 5.820
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.362
},
{
"type": "CC(1/2)",
"value": 0.953
}
]
},
{
"resolution_limits": [2.090,2.010],
"number_observations": 46267,
"number_observations_unique": 6986,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.239
},
{
"type": "R(meas)",
"value": 0.259
},
{
"type": "I/SigI",
"value": 8.240
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.623
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [2.180,2.090],
"number_observations": 46792,
"number_observations_unique": 6727,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.182
},
{
"type": "R(meas)",
"value": 0.196
},
{
"type": "I/SigI",
"value": 10.870
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.956
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [2.290,2.180],
"number_observations": 44157,
"number_observations_unique": 6408,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "R(meas)",
"value": 0.164
},
{
"type": "I/SigI",
"value": 12.840
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.891
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [2.410,2.290],
"number_observations": 41607,
"number_observations_unique": 6122,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 17.350
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.796
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.560,2.410],
"number_observations": 37006,
"number_observations_unique": 5809,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 20.420
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.370
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.740,2.560],
"number_observations": 36198,
"number_observations_unique": 5470,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 26.030
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.618
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.960,2.740],
"number_observations": 35021,
"number_observations_unique": 5104,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 32.950
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.861
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.240,2.960],
"number_observations": 31265,
"number_observations_unique": 4717,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 39.420
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.628
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.620,3.240],
"number_observations": 26295,
"number_observations_unique": 4271,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 45.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.157
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.180,3.620],
"number_observations": 22933,
"number_observations_unique": 3802,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 49.690
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.032
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.120,4.180],
"number_observations": 21009,
"number_observations_unique": 3240,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 56.520
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.484
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [7.240,5.120],
"number_observations": 15086,
"number_observations_unique": 2548,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 52.900
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.921
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [45.870,7.240],
"number_observations": 9170,
"number_observations_unique": 1491,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 59.480
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.150
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}