Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7a9e19976bc1f8af11ce158ff6f8bdf7",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 53.48,
"b": 56.76,
"c": 65.13,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88560],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.830,1.150],
"number_observations": 424102,
"number_observations_unique": 126973,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "I/SigI",
"value": 7.430
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 3.340
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.180,1.150],
"number_observations": 5552,
"number_observations_unique": 3695,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.793
},
{
"type": "R(meas)",
"value": 1.050
},
{
"type": "I/SigI",
"value": 0.660
},
{
"type": "Completeness",
"value": 36.600
},
{
"type": "Redundancy",
"value": 1.503
},
{
"type": "CC(1/2)",
"value": 0.379
}
]
},
{
"resolution_limits": [1.220,1.180],
"number_observations": 21016,
"number_observations_unique": 8936,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.774
},
{
"type": "R(meas)",
"value": 0.975
},
{
"type": "I/SigI",
"value": 0.930
},
{
"type": "Completeness",
"value": 92.100
},
{
"type": "Redundancy",
"value": 2.352
},
{
"type": "CC(1/2)",
"value": 0.420
}
]
},
{
"resolution_limits": [1.250,1.220],
"number_observations": 27681,
"number_observations_unique": 9320,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.693
},
{
"type": "R(meas)",
"value": 0.841
},
{
"type": "I/SigI",
"value": 1.290
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 2.970
},
{
"type": "CC(1/2)",
"value": 0.505
}
]
},
{
"resolution_limits": [1.290,1.250],
"number_observations": 31729,
"number_observations_unique": 9195,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.626
},
{
"type": "R(meas)",
"value": 0.741
},
{
"type": "I/SigI",
"value": 1.710
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.451
},
{
"type": "CC(1/2)",
"value": 0.619
}
]
},
{
"resolution_limits": [1.330,1.290],
"number_observations": 32174,
"number_observations_unique": 8907,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.523
},
{
"type": "R(meas)",
"value": 0.614
},
{
"type": "I/SigI",
"value": 2.210
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.612
},
{
"type": "CC(1/2)",
"value": 0.731
}
]
},
{
"resolution_limits": [1.380,1.330],
"number_observations": 31225,
"number_observations_unique": 8577,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.450
},
{
"type": "R(meas)",
"value": 0.527
},
{
"type": "I/SigI",
"value": 2.710
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.641
},
{
"type": "CC(1/2)",
"value": 0.788
}
]
},
{
"resolution_limits": [1.430,1.380],
"number_observations": 29951,
"number_observations_unique": 8264,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.385
},
{
"type": "R(meas)",
"value": 0.452
},
{
"type": "I/SigI",
"value": 3.260
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.624
},
{
"type": "CC(1/2)",
"value": 0.833
}
]
},
{
"resolution_limits": [1.490,1.430],
"number_observations": 28706,
"number_observations_unique": 8011,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.299
},
{
"type": "R(meas)",
"value": 0.352
},
{
"type": "I/SigI",
"value": 4.180
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.583
},
{
"type": "CC(1/2)",
"value": 0.900
}
]
},
{
"resolution_limits": [1.560,1.490],
"number_observations": 27093,
"number_observations_unique": 7615,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.245
},
{
"type": "R(meas)",
"value": 0.288
},
{
"type": "I/SigI",
"value": 5.090
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.558
},
{
"type": "CC(1/2)",
"value": 0.931
}
]
},
{
"resolution_limits": [1.630,1.560],
"number_observations": 25859,
"number_observations_unique": 7319,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.200
},
{
"type": "R(meas)",
"value": 0.236
},
{
"type": "I/SigI",
"value": 6.370
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.533
},
{
"type": "CC(1/2)",
"value": 0.945
}
]
},
{
"resolution_limits": [1.720,1.630],
"number_observations": 24428,
"number_observations_unique": 6979,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "R(meas)",
"value": 0.201
},
{
"type": "I/SigI",
"value": 7.640
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
},
{
"resolution_limits": [1.820,1.720],
"number_observations": 23100,
"number_observations_unique": 6517,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "R(meas)",
"value": 0.161
},
{
"type": "I/SigI",
"value": 9.650
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.545
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [1.950,1.820],
"number_observations": 21998,
"number_observations_unique": 6172,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.130
},
{
"type": "I/SigI",
"value": 12.210
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.564
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [2.110,1.950],
"number_observations": 20054,
"number_observations_unique": 5700,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 14.890
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.518
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [2.310,2.110],
"number_observations": 18209,
"number_observations_unique": 5233,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 16.900
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.480
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [2.580,2.310],
"number_observations": 15771,
"number_observations_unique": 4715,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 18.030
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.345
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.980,2.580],
"number_observations": 12860,
"number_observations_unique": 4124,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 19.130
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 3.118
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.650,2.980],
"number_observations": 11927,
"number_observations_unique": 3493,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 23.160
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.415
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [5.160,3.650],
"number_observations": 9679,
"number_observations_unique": 2713,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 25.720
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.568
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [42.830,5.160],
"number_observations": 5090,
"number_observations_unique": 1488,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 24.940
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.421
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}