Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4037a356893c99655c4c38ff21c9f262",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 75.48,
"b": 165.48,
"c": 234.46,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.295,3.460],
"number_observations": 168334,
"number_observations_unique": 38377,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "R(meas)",
"value": 0.169
},
{
"type": "I/SigI",
"value": 6.560
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 4.386
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [3.550,3.460],
"number_observations": 12368,
"number_observations_unique": 2821,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.666
},
{
"type": "R(meas)",
"value": 0.754
},
{
"type": "I/SigI",
"value": 2.720
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.384
},
{
"type": "CC(1/2)",
"value": 0.716
}
]
},
{
"resolution_limits": [3.650,3.550],
"number_observations": 12230,
"number_observations_unique": 2760,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.589
},
{
"type": "R(meas)",
"value": 0.666
},
{
"type": "I/SigI",
"value": 3.030
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.431
},
{
"type": "CC(1/2)",
"value": 0.773
}
]
},
{
"resolution_limits": [3.750,3.650],
"number_observations": 11910,
"number_observations_unique": 2677,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.510
},
{
"type": "R(meas)",
"value": 0.576
},
{
"type": "I/SigI",
"value": 3.450
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.449
},
{
"type": "CC(1/2)",
"value": 0.820
}
]
},
{
"resolution_limits": [3.870,3.750],
"number_observations": 11535,
"number_observations_unique": 2599,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.422
},
{
"type": "R(meas)",
"value": 0.477
},
{
"type": "I/SigI",
"value": 3.800
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.438
},
{
"type": "CC(1/2)",
"value": 0.870
}
]
},
{
"resolution_limits": [4.000,3.870],
"number_observations": 11289,
"number_observations_unique": 2534,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.362
},
{
"type": "R(meas)",
"value": 0.409
},
{
"type": "I/SigI",
"value": 4.350
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.455
},
{
"type": "CC(1/2)",
"value": 0.892
}
]
},
{
"resolution_limits": [4.140,4.000],
"number_observations": 10776,
"number_observations_unique": 2434,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.289
},
{
"type": "R(meas)",
"value": 0.326
},
{
"type": "I/SigI",
"value": 4.980
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 4.427
},
{
"type": "CC(1/2)",
"value": 0.945
}
]
},
{
"resolution_limits": [4.290,4.140],
"number_observations": 10483,
"number_observations_unique": 2344,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.235
},
{
"type": "R(meas)",
"value": 0.265
},
{
"type": "I/SigI",
"value": 5.840
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 4.472
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
},
{
"resolution_limits": [4.470,4.290],
"number_observations": 10073,
"number_observations_unique": 2287,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.213
},
{
"type": "R(meas)",
"value": 0.241
},
{
"type": "I/SigI",
"value": 6.160
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 4.404
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
},
{
"resolution_limits": [4.670,4.470],
"number_observations": 9584,
"number_observations_unique": 2168,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.179
},
{
"type": "R(meas)",
"value": 0.202
},
{
"type": "I/SigI",
"value": 7.170
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 4.421
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
{
"resolution_limits": [4.890,4.670],
"number_observations": 9156,
"number_observations_unique": 2063,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "R(meas)",
"value": 0.181
},
{
"type": "I/SigI",
"value": 7.850
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 4.438
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [5.160,4.890],
"number_observations": 8684,
"number_observations_unique": 1983,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "R(meas)",
"value": 0.175
},
{
"type": "I/SigI",
"value": 7.960
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 4.379
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [5.470,5.160],
"number_observations": 8311,
"number_observations_unique": 1893,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(meas)",
"value": 0.157
},
{
"type": "I/SigI",
"value": 8.410
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 4.390
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [5.850,5.470],
"number_observations": 7706,
"number_observations_unique": 1759,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "R(meas)",
"value": 0.156
},
{
"type": "I/SigI",
"value": 8.450
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 4.381
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [6.320,5.850],
"number_observations": 7237,
"number_observations_unique": 1640,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "R(meas)",
"value": 0.141
},
{
"type": "I/SigI",
"value": 9.080
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 4.413
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [6.920,6.320],
"number_observations": 6612,
"number_observations_unique": 1519,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.128
},
{
"type": "I/SigI",
"value": 9.870
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 4.353
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [7.740,6.920],
"number_observations": 5874,
"number_observations_unique": 1365,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 11.110
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 4.303
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [8.930,7.740],
"number_observations": 5160,
"number_observations_unique": 1212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 11.980
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 4.257
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [10.940,8.930],
"number_observations": 4363,
"number_observations_unique": 1048,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 12.250
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 4.163
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [15.470,10.940],
"number_observations": 3369,
"number_observations_unique": 820,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 12.100
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 4.109
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [46.295,15.470],
"number_observations": 1614,
"number_observations_unique": 451,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 11.060
},
{
"type": "Completeness",
"value": 84.900
},
{
"type": "Redundancy",
"value": 3.579
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
}
]
}