Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c8e7324320f5dd7c1c4334fef5336679",
"space_group_name": "H 3",
"unit_cell": {
"a": 135.370,
"b": 135.370,
"c": 235.253,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.540,2.140],
"number_observations": 469203,
"number_observations_unique": 88671,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "I/SigI",
"value": 12.820
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.292
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.200,2.140],
"number_observations": 35522,
"number_observations_unique": 6572,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.116
},
{
"type": "R(meas)",
"value": 1.236
},
{
"type": "I/SigI",
"value": 1.440
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.405
},
{
"type": "CC(1/2)",
"value": 0.551
}
]
},
{
"resolution_limits": [2.260,2.200],
"number_observations": 34733,
"number_observations_unique": 6457,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.971
},
{
"type": "R(meas)",
"value": 1.077
},
{
"type": "I/SigI",
"value": 1.690
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.379
},
{
"type": "CC(1/2)",
"value": 0.615
}
]
},
{
"resolution_limits": [2.320,2.260],
"number_observations": 32844,
"number_observations_unique": 6156,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.815
},
{
"type": "R(meas)",
"value": 0.905
},
{
"type": "I/SigI",
"value": 2.030
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.335
},
{
"type": "CC(1/2)",
"value": 0.698
}
]
},
{
"resolution_limits": [2.390,2.320],
"number_observations": 32051,
"number_observations_unique": 6049,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.620
},
{
"type": "R(meas)",
"value": 0.688
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.299
},
{
"type": "CC(1/2)",
"value": 0.796
}
]
},
{
"resolution_limits": [2.470,2.390],
"number_observations": 30407,
"number_observations_unique": 5866,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.517
},
{
"type": "R(meas)",
"value": 0.576
},
{
"type": "I/SigI",
"value": 3.040
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.184
},
{
"type": "CC(1/2)",
"value": 0.850
}
]
},
{
"resolution_limits": [2.560,2.470],
"number_observations": 28016,
"number_observations_unique": 5631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.433
},
{
"type": "R(meas)",
"value": 0.484
},
{
"type": "I/SigI",
"value": 3.650
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.975
},
{
"type": "CC(1/2)",
"value": 0.881
}
]
},
{
"resolution_limits": [2.650,2.560],
"number_observations": 28824,
"number_observations_unique": 5492,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.329
},
{
"type": "R(meas)",
"value": 0.366
},
{
"type": "I/SigI",
"value": 4.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.248
},
{
"type": "CC(1/2)",
"value": 0.924
}
]
},
{
"resolution_limits": [2.760,2.650],
"number_observations": 28761,
"number_observations_unique": 5276,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.266
},
{
"type": "R(meas)",
"value": 0.294
},
{
"type": "I/SigI",
"value": 5.970
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.451
},
{
"type": "CC(1/2)",
"value": 0.952
}
]
},
{
"resolution_limits": [2.890,2.760],
"number_observations": 27136,
"number_observations_unique": 5006,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.217
},
{
"type": "R(meas)",
"value": 0.240
},
{
"type": "I/SigI",
"value": 7.330
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.421
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [3.030,2.890],
"number_observations": 25839,
"number_observations_unique": 4811,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "R(meas)",
"value": 0.183
},
{
"type": "I/SigI",
"value": 9.440
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.371
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [3.190,3.030],
"number_observations": 23997,
"number_observations_unique": 4595,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(meas)",
"value": 0.138
},
{
"type": "I/SigI",
"value": 12.040
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.222
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [3.380,3.190],
"number_observations": 21437,
"number_observations_unique": 4319,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 15.890
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.963
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.620,3.380],
"number_observations": 22258,
"number_observations_unique": 4071,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 22.990
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.467
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.910,3.620],
"number_observations": 20652,
"number_observations_unique": 3790,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 28.530
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.449
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.280,3.910],
"number_observations": 18789,
"number_observations_unique": 3496,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 33.870
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.374
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.790,4.280],
"number_observations": 15702,
"number_observations_unique": 3159,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 37.240
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.971
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.530,4.790],
"number_observations": 14715,
"number_observations_unique": 2793,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 38.330
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.269
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.770,5.530],
"number_observations": 12898,
"number_observations_unique": 2331,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 36.970
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.533
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [9.570,6.770],
"number_observations": 9186,
"number_observations_unique": 1812,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 49.550
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.070
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [43.540,9.570],
"number_observations": 5436,
"number_observations_unique": 989,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 65.530
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 5.496
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}