Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8710bd84064974f8157d220ea1ef09c9",
"space_group_name": "H 3",
"unit_cell": {
"a": 135.148,
"b": 135.148,
"c": 235.062,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.62,2.210],
"number_observations": 410669,
"number_observations_unique": 80114,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "R(meas)",
"value": 0.158
},
{
"type": "I/SigI",
"value": 10.150
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.126
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.270,2.210],
"number_observations": 30020,
"number_observations_unique": 5911,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.435
},
{
"type": "R(meas)",
"value": 1.602
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.079
},
{
"type": "CC(1/2)",
"value": 0.351
}
]
},
{
"resolution_limits": [2.330,2.270],
"number_observations": 28351,
"number_observations_unique": 5783,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.121
},
{
"type": "R(meas)",
"value": 1.257
},
{
"type": "I/SigI",
"value": 1.390
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.902
},
{
"type": "CC(1/2)",
"value": 0.483
}
]
},
{
"resolution_limits": [2.400,2.330],
"number_observations": 28109,
"number_observations_unique": 5609,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.897
},
{
"type": "R(meas)",
"value": 1.002
},
{
"type": "I/SigI",
"value": 1.750
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.011
},
{
"type": "CC(1/2)",
"value": 0.596
}
]
},
{
"resolution_limits": [2.470,2.400],
"number_observations": 29131,
"number_observations_unique": 5457,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.726
},
{
"type": "R(meas)",
"value": 0.805
},
{
"type": "I/SigI",
"value": 2.230
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.338
},
{
"type": "CC(1/2)",
"value": 0.711
}
]
},
{
"resolution_limits": [2.550,2.470],
"number_observations": 28515,
"number_observations_unique": 5310,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.587
},
{
"type": "R(meas)",
"value": 0.651
},
{
"type": "I/SigI",
"value": 2.810
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.370
},
{
"type": "CC(1/2)",
"value": 0.777
}
]
},
{
"resolution_limits": [2.640,2.550],
"number_observations": 27312,
"number_observations_unique": 5112,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.448
},
{
"type": "R(meas)",
"value": 0.497
},
{
"type": "I/SigI",
"value": 3.670
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.343
},
{
"type": "CC(1/2)",
"value": 0.845
}
]
},
{
"resolution_limits": [2.740,2.640],
"number_observations": 25731,
"number_observations_unique": 4895,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.362
},
{
"type": "R(meas)",
"value": 0.402
},
{
"type": "I/SigI",
"value": 4.550
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.257
},
{
"type": "CC(1/2)",
"value": 0.890
}
]
},
{
"resolution_limits": [2.850,2.740],
"number_observations": 23993,
"number_observations_unique": 4797,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.293
},
{
"type": "R(meas)",
"value": 0.327
},
{
"type": "I/SigI",
"value": 5.420
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.002
},
{
"type": "CC(1/2)",
"value": 0.930
}
]
},
{
"resolution_limits": [2.980,2.850],
"number_observations": 23647,
"number_observations_unique": 4569,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.229
},
{
"type": "R(meas)",
"value": 0.255
},
{
"type": "I/SigI",
"value": 7.080
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.176
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
{
"resolution_limits": [3.130,2.980],
"number_observations": 23491,
"number_observations_unique": 4353,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.177
},
{
"type": "R(meas)",
"value": 0.196
},
{
"type": "I/SigI",
"value": 9.120
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.397
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [3.290,3.130],
"number_observations": 22072,
"number_observations_unique": 4148,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "R(meas)",
"value": 0.147
},
{
"type": "I/SigI",
"value": 12.130
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.321
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [3.490,3.290],
"number_observations": 20173,
"number_observations_unique": 3898,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 16.040
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.175
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [3.740,3.490],
"number_observations": 17619,
"number_observations_unique": 3671,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 18.980
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [4.030,3.740],
"number_observations": 17102,
"number_observations_unique": 3421,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 22.440
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.999
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [4.420,4.030],
"number_observations": 16348,
"number_observations_unique": 3182,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 25.560
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.138
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.940,4.420],
"number_observations": 14058,
"number_observations_unique": 2821,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 27.310
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.983
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [5.710,4.940],
"number_observations": 11755,
"number_observations_unique": 2520,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 26.110
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.665
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [6.990,5.710],
"number_observations": 10939,
"number_observations_unique": 2141,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 27.510
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.109
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [9.880,6.990],
"number_observations": 7913,
"number_observations_unique": 1614,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 31.220
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.903
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [43.620,9.880],
"number_observations": 4390,
"number_observations_unique": 902,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 33.170
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.867
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}