Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "31bf0be03a720c7e9e80b1babf58478d",
"space_group_name": "H 3",
"unit_cell": {
"a": 135.702,
"b": 135.702,
"c": 236.064,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.81,2.030],
"number_observations": 541474,
"number_observations_unique": 104617,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 13.080
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.170
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.080,2.030],
"number_observations": 40139,
"number_observations_unique": 7773,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.384
},
{
"type": "R(meas)",
"value": 1.541
},
{
"type": "I/SigI",
"value": 1.180
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.164
},
{
"type": "CC(1/2)",
"value": 0.485
}
]
},
{
"resolution_limits": [2.140,2.080],
"number_observations": 37246,
"number_observations_unique": 7540,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.194
},
{
"type": "R(meas)",
"value": 1.337
},
{
"type": "I/SigI",
"value": 1.380
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.940
},
{
"type": "CC(1/2)",
"value": 0.560
}
]
},
{
"resolution_limits": [2.200,2.140],
"number_observations": 36781,
"number_observations_unique": 7296,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.786
},
{
"type": "R(meas)",
"value": 0.879
},
{
"type": "I/SigI",
"value": 2.080
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.041
},
{
"type": "CC(1/2)",
"value": 0.740
}
]
},
{
"resolution_limits": [2.270,2.200],
"number_observations": 38462,
"number_observations_unique": 7156,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.593
},
{
"type": "R(meas)",
"value": 0.657
},
{
"type": "I/SigI",
"value": 2.760
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.375
},
{
"type": "CC(1/2)",
"value": 0.824
}
]
},
{
"resolution_limits": [2.340,2.270],
"number_observations": 36491,
"number_observations_unique": 6891,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.466
},
{
"type": "R(meas)",
"value": 0.518
},
{
"type": "I/SigI",
"value": 3.530
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.295
},
{
"type": "CC(1/2)",
"value": 0.881
}
]
},
{
"resolution_limits": [2.430,2.340],
"number_observations": 35424,
"number_observations_unique": 6681,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.352
},
{
"type": "R(meas)",
"value": 0.391
},
{
"type": "I/SigI",
"value": 4.570
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.302
},
{
"type": "CC(1/2)",
"value": 0.929
}
]
},
{
"resolution_limits": [2.520,2.430],
"number_observations": 33407,
"number_observations_unique": 6484,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.295
},
{
"type": "R(meas)",
"value": 0.329
},
{
"type": "I/SigI",
"value": 5.410
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.152
},
{
"type": "CC(1/2)",
"value": 0.941
}
]
},
{
"resolution_limits": [2.620,2.520],
"number_observations": 30665,
"number_observations_unique": 6189,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.220
},
{
"type": "R(meas)",
"value": 0.246
},
{
"type": "I/SigI",
"value": 7.130
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.955
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
{
"resolution_limits": [2.740,2.620],
"number_observations": 30805,
"number_observations_unique": 5947,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "R(meas)",
"value": 0.187
},
{
"type": "I/SigI",
"value": 9.260
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.180
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [2.870,2.740],
"number_observations": 30631,
"number_observations_unique": 5703,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.145
},
{
"type": "I/SigI",
"value": 11.730
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.371
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [3.030,2.870],
"number_observations": 28820,
"number_observations_unique": 5404,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 15.540
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.333
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.210,3.030],
"number_observations": 26677,
"number_observations_unique": 5097,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 20.480
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.234
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.430,3.210],
"number_observations": 23325,
"number_observations_unique": 4786,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 26.910
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.874
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.710,3.430],
"number_observations": 23529,
"number_observations_unique": 4518,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 36.650
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.208
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.060,3.710],
"number_observations": 21909,
"number_observations_unique": 4109,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 44.960
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.332
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.540,4.060],
"number_observations": 19281,
"number_observations_unique": 3729,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 50.380
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.171
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.240,4.540],
"number_observations": 15652,
"number_observations_unique": 3286,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 51.880
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.763
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.420,5.240],
"number_observations": 15051,
"number_observations_unique": 2771,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 53.350
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.432
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [9.080,6.420],
"number_observations": 10995,
"number_observations_unique": 2141,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 59.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.135
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [43.810,9.080],
"number_observations": 6184,
"number_observations_unique": 1169,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(meas)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 70.550
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.290
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}