Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c4964397f7dc0454328c1cab168662fd",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 139.06,
"b": 29.58,
"c": 37.87,
"alpha": 90.00,
"beta": 103.18,
"gamma": 90.00
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.870,1.040],
"number_observations": 173816,
"number_observations_unique": 55003,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.122
},
{
"type": "I/SigI",
"value": 7.830
},
{
"type": "Completeness",
"value": 75.900
},
{
"type": "Redundancy",
"value": 3.160
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.070,1.040],
"number_observations": 1108,
"number_observations_unique": 565,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.850
},
{
"type": "R(meas)",
"value": 1.184
},
{
"type": "I/SigI",
"value": 0.940
},
{
"type": "Completeness",
"value": 10.600
},
{
"type": "Redundancy",
"value": 1.961
},
{
"type": "CC(1/2)",
"value": 0.247
}
]
},
{
"resolution_limits": [1.100,1.070],
"number_observations": 2502,
"number_observations_unique": 1206,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.655
},
{
"type": "R(meas)",
"value": 0.899
},
{
"type": "I/SigI",
"value": 1.330
},
{
"type": "Completeness",
"value": 23.200
},
{
"type": "Redundancy",
"value": 2.075
},
{
"type": "CC(1/2)",
"value": 0.405
}
]
},
{
"resolution_limits": [1.130,1.100],
"number_observations": 4307,
"number_observations_unique": 1952,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.615
},
{
"type": "R(meas)",
"value": 0.829
},
{
"type": "I/SigI",
"value": 1.610
},
{
"type": "Completeness",
"value": 39.000
},
{
"type": "Redundancy",
"value": 2.206
},
{
"type": "CC(1/2)",
"value": 0.522
}
]
},
{
"resolution_limits": [1.160,1.130],
"number_observations": 6352,
"number_observations_unique": 2681,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.557
},
{
"type": "R(meas)",
"value": 0.728
},
{
"type": "I/SigI",
"value": 2.010
},
{
"type": "Completeness",
"value": 54.600
},
{
"type": "Redundancy",
"value": 2.369
},
{
"type": "CC(1/2)",
"value": 0.629
}
]
},
{
"resolution_limits": [1.200,1.160],
"number_observations": 8748,
"number_observations_unique": 3366,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.477
},
{
"type": "R(meas)",
"value": 0.604
},
{
"type": "I/SigI",
"value": 2.740
},
{
"type": "Completeness",
"value": 70.900
},
{
"type": "Redundancy",
"value": 2.599
},
{
"type": "CC(1/2)",
"value": 0.738
}
]
},
{
"resolution_limits": [1.240,1.200],
"number_observations": 12553,
"number_observations_unique": 4064,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.468
},
{
"type": "R(meas)",
"value": 0.566
},
{
"type": "I/SigI",
"value": 3.290
},
{
"type": "Completeness",
"value": 88.300
},
{
"type": "Redundancy",
"value": 3.089
},
{
"type": "CC(1/2)",
"value": 0.810
}
]
},
{
"resolution_limits": [1.290,1.240],
"number_observations": 13917,
"number_observations_unique": 4172,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.422
},
{
"type": "R(meas)",
"value": 0.503
},
{
"type": "I/SigI",
"value": 3.790
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 3.336
},
{
"type": "CC(1/2)",
"value": 0.844
}
]
},
{
"resolution_limits": [1.340,1.290],
"number_observations": 13100,
"number_observations_unique": 4031,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.379
},
{
"type": "R(meas)",
"value": 0.454
},
{
"type": "I/SigI",
"value": 4.180
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 3.250
},
{
"type": "CC(1/2)",
"value": 0.865
}
]
},
{
"resolution_limits": [1.400,1.340],
"number_observations": 12912,
"number_observations_unique": 3921,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.338
},
{
"type": "R(meas)",
"value": 0.403
},
{
"type": "I/SigI",
"value": 4.750
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 3.293
},
{
"type": "CC(1/2)",
"value": 0.881
}
]
},
{
"resolution_limits": [1.470,1.400],
"number_observations": 12900,
"number_observations_unique": 3773,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.288
},
{
"type": "R(meas)",
"value": 0.341
},
{
"type": "I/SigI",
"value": 5.650
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 3.419
},
{
"type": "CC(1/2)",
"value": 0.912
}
]
},
{
"resolution_limits": [1.550,1.470],
"number_observations": 12116,
"number_observations_unique": 3664,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.226
},
{
"type": "R(meas)",
"value": 0.269
},
{
"type": "I/SigI",
"value": 6.520
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.307
},
{
"type": "CC(1/2)",
"value": 0.940
}
]
},
{
"resolution_limits": [1.640,1.550],
"number_observations": 11366,
"number_observations_unique": 3422,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "R(meas)",
"value": 0.212
},
{
"type": "I/SigI",
"value": 7.910
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 3.321
},
{
"type": "CC(1/2)",
"value": 0.964
}
]
},
{
"resolution_limits": [1.760,1.640],
"number_observations": 11285,
"number_observations_unique": 3265,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "R(meas)",
"value": 0.177
},
{
"type": "I/SigI",
"value": 9.210
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.456
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [1.900,1.760],
"number_observations": 10388,
"number_observations_unique": 3059,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "I/SigI",
"value": 11.310
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.396
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [2.080,1.900],
"number_observations": 9241,
"number_observations_unique": 2760,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 13.690
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 3.348
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.330,2.080],
"number_observations": 8997,
"number_observations_unique": 2565,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 16.440
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.508
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.690,2.330],
"number_observations": 7740,
"number_observations_unique": 2299,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 17.270
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.367
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.290,2.690],
"number_observations": 6325,
"number_observations_unique": 1871,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 19.680
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 3.381
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [4.650,3.290],
"number_observations": 5158,
"number_observations_unique": 1518,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 22.240
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.398
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [36.870,4.650],
"number_observations": 2801,
"number_observations_unique": 849,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 22.580
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 3.299
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}