Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "17bf9389e264e250399e807604ef1fb9",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 84.44,
"b": 92.27,
"c": 120.25,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.98,2.030],
"number_observations": 810186,
"number_observations_unique": 61450,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.244
},
{
"type": "R(meas)",
"value": 0.254
},
{
"type": "I/SigI",
"value": 8.050
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.184
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.080,2.030],
"number_observations": 59998,
"number_observations_unique": 4492,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.908
},
{
"type": "R(meas)",
"value": 4.064
},
{
"type": "I/SigI",
"value": 0.730
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.357
},
{
"type": "CC(1/2)",
"value": 0.227
}
]
},
{
"resolution_limits": [2.140,2.080],
"number_observations": 57973,
"number_observations_unique": 4399,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.170
},
{
"type": "R(meas)",
"value": 3.297
},
{
"type": "I/SigI",
"value": 0.920
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.179
},
{
"type": "CC(1/2)",
"value": 0.334
}
]
},
{
"resolution_limits": [2.200,2.140],
"number_observations": 52999,
"number_observations_unique": 4242,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.124
},
{
"type": "R(meas)",
"value": 3.258
},
{
"type": "I/SigI",
"value": 0.940
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.494
},
{
"type": "CC(1/2)",
"value": 0.402
}
]
},
{
"resolution_limits": [2.270,2.200],
"number_observations": 52335,
"number_observations_unique": 4128,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.038
},
{
"type": "R(meas)",
"value": 2.123
},
{
"type": "I/SigI",
"value": 1.470
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.678
},
{
"type": "CC(1/2)",
"value": 0.469
}
]
},
{
"resolution_limits": [2.340,2.270],
"number_observations": 54957,
"number_observations_unique": 4003,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.035
},
{
"type": "R(meas)",
"value": 2.114
},
{
"type": "I/SigI",
"value": 1.630
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.729
},
{
"type": "CC(1/2)",
"value": 0.665
}
]
},
{
"resolution_limits": [2.430,2.340],
"number_observations": 53064,
"number_observations_unique": 3873,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.349
},
{
"type": "R(meas)",
"value": 1.401
},
{
"type": "I/SigI",
"value": 2.410
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.701
},
{
"type": "CC(1/2)",
"value": 0.759
}
]
},
{
"resolution_limits": [2.520,2.430],
"number_observations": 51116,
"number_observations_unique": 3758,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.076
},
{
"type": "R(meas)",
"value": 1.118
},
{
"type": "I/SigI",
"value": 3.040
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.602
},
{
"type": "CC(1/2)",
"value": 0.844
}
]
},
{
"resolution_limits": [2.620,2.520],
"number_observations": 48816,
"number_observations_unique": 3631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.834
},
{
"type": "R(meas)",
"value": 0.867
},
{
"type": "I/SigI",
"value": 3.850
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.444
},
{
"type": "CC(1/2)",
"value": 0.895
}
]
},
{
"resolution_limits": [2.740,2.620],
"number_observations": 45579,
"number_observations_unique": 3460,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.638
},
{
"type": "R(meas)",
"value": 0.664
},
{
"type": "I/SigI",
"value": 4.930
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.173
},
{
"type": "CC(1/2)",
"value": 0.936
}
]
},
{
"resolution_limits": [2.870,2.740],
"number_observations": 41473,
"number_observations_unique": 3334,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.465
},
{
"type": "R(meas)",
"value": 0.485
},
{
"type": "I/SigI",
"value": 6.350
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.439
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
},
{
"resolution_limits": [3.030,2.870],
"number_observations": 41760,
"number_observations_unique": 3171,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.344
},
{
"type": "R(meas)",
"value": 0.358
},
{
"type": "I/SigI",
"value": 8.370
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.169
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [3.210,3.030],
"number_observations": 41814,
"number_observations_unique": 3005,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.246
},
{
"type": "R(meas)",
"value": 0.256
},
{
"type": "I/SigI",
"value": 11.340
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.915
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [3.430,3.210],
"number_observations": 38830,
"number_observations_unique": 2832,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "R(meas)",
"value": 0.184
},
{
"type": "I/SigI",
"value": 14.510
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.711
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.710,3.430],
"number_observations": 35647,
"number_observations_unique": 2645,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "R(meas)",
"value": 0.159
},
{
"type": "I/SigI",
"value": 16.380
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.477
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [4.060,3.710],
"number_observations": 30625,
"number_observations_unique": 2445,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "R(meas)",
"value": 0.130
},
{
"type": "I/SigI",
"value": 18.720
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.526
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.540,4.060],
"number_observations": 28091,
"number_observations_unique": 2223,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 23.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.637
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.240,4.540],
"number_observations": 27241,
"number_observations_unique": 1995,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 25.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.655
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.420,5.240],
"number_observations": 22173,
"number_observations_unique": 1683,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 24.030
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.175
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [9.080,6.420],
"number_observations": 15765,
"number_observations_unique": 1338,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 26.320
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.783
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [48.980,9.080],
"number_observations": 9930,
"number_observations_unique": 793,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 35.700
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 12.522
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}