Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "96db82b46bcf4ffd00932bd53e294df5",
"space_group_name": "P 64 2 2",
"unit_cell": {
"a": 116.60,
"b": 116.60,
"c": 75.23,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00800],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [100.980,2.200],
"number_observations": 596862,
"number_observations_unique": 28988,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "R(meas)",
"value": 0.173
},
{
"type": "I/SigI",
"value": 11.710
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.590
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.260,2.200],
"number_observations": 42401,
"number_observations_unique": 2131,
"quality_factors": [
{
"type": "R(merge)",
"value": 12.070
},
{
"type": "R(meas)",
"value": 12.383
},
{
"type": "I/SigI",
"value": 0.140
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.897
},
{
"type": "CC(1/2)",
"value": 0.165
}
]
},
{
"resolution_limits": [2.320,2.260],
"number_observations": 43468,
"number_observations_unique": 2106,
"quality_factors": [
{
"type": "R(merge)",
"value": 10.514
},
{
"type": "R(meas)",
"value": 10.776
},
{
"type": "I/SigI",
"value": 0.210
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.640
},
{
"type": "CC(1/2)",
"value": 0.196
}
]
},
{
"resolution_limits": [2.390,2.320],
"number_observations": 39392,
"number_observations_unique": 2030,
"quality_factors": [
{
"type": "R(merge)",
"value": 8.171
},
{
"type": "R(meas)",
"value": 8.391
},
{
"type": "I/SigI",
"value": 0.310
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 19.405
},
{
"type": "CC(1/2)",
"value": 0.326
}
]
},
{
"resolution_limits": [2.460,2.390],
"number_observations": 42002,
"number_observations_unique": 1963,
"quality_factors": [
{
"type": "R(merge)",
"value": 6.357
},
{
"type": "R(meas)",
"value": 6.510
},
{
"type": "I/SigI",
"value": 0.490
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.397
},
{
"type": "CC(1/2)",
"value": 0.468
}
]
},
{
"resolution_limits": [2.540,2.460],
"number_observations": 41600,
"number_observations_unique": 1923,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.423
},
{
"type": "R(meas)",
"value": 4.528
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 21.633
},
{
"type": "CC(1/2)",
"value": 0.675
}
]
},
{
"resolution_limits": [2.630,2.540],
"number_observations": 39266,
"number_observations_unique": 1834,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.290
},
{
"type": "R(meas)",
"value": 3.369
},
{
"type": "I/SigI",
"value": 1.130
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 21.410
},
{
"type": "CC(1/2)",
"value": 0.771
}
]
},
{
"resolution_limits": [2.730,2.630],
"number_observations": 38097,
"number_observations_unique": 1800,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.369
},
{
"type": "R(meas)",
"value": 2.426
},
{
"type": "I/SigI",
"value": 1.560
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.165
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [2.840,2.730],
"number_observations": 34833,
"number_observations_unique": 1721,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.316
},
{
"type": "R(meas)",
"value": 1.349
},
{
"type": "I/SigI",
"value": 2.830
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.240
},
{
"type": "CC(1/2)",
"value": 0.950
}
]
},
{
"resolution_limits": [2.970,2.840],
"number_observations": 32418,
"number_observations_unique": 1645,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.919
},
{
"type": "R(meas)",
"value": 0.943
},
{
"type": "I/SigI",
"value": 3.980
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.707
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [3.110,2.970],
"number_observations": 34210,
"number_observations_unique": 1576,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.612
},
{
"type": "R(meas)",
"value": 0.627
},
{
"type": "I/SigI",
"value": 6.390
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.707
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [3.280,3.110],
"number_observations": 32083,
"number_observations_unique": 1497,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.378
},
{
"type": "R(meas)",
"value": 0.387
},
{
"type": "I/SigI",
"value": 10.010
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.432
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.480,3.280],
"number_observations": 29545,
"number_observations_unique": 1411,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.267
},
{
"type": "R(meas)",
"value": 0.273
},
{
"type": "I/SigI",
"value": 13.190
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.939
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.720,3.480],
"number_observations": 25975,
"number_observations_unique": 1334,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "R(meas)",
"value": 0.165
},
{
"type": "I/SigI",
"value": 19.880
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.472
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.020,3.720],
"number_observations": 24468,
"number_observations_unique": 1243,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 26.060
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.685
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.400,4.020],
"number_observations": 23616,
"number_observations_unique": 1134,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 36.510
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.825
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.920,4.400],
"number_observations": 20894,
"number_observations_unique": 1028,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 41.830
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.325
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.690,4.920],
"number_observations": 17169,
"number_observations_unique": 915,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 41.250
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.764
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.960,5.690],
"number_observations": 16407,
"number_observations_unique": 770,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 49.450
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.308
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [9.850,6.960],
"number_observations": 12356,
"number_observations_unique": 595,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 58.650
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.766
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [100.980,9.850],
"number_observations": 6662,
"number_observations_unique": 332,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 65.180
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 20.066
}
]
}
]
}