Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4ee62c53e8030ce5bd7d8e565d028c2a",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 53.465,
"b": 53.465,
"c": 223.468,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54970],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.230,2.210],
"number_observations": 350217,
"number_observations_unique": 16890,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 19.790
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 20.735
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.260,2.210],
"number_observations": 2989,
"number_observations_unique": 928,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.658
},
{
"type": "R(meas)",
"value": 3.127
},
{
"type": "I/SigI",
"value": 0.250
},
{
"type": "Completeness",
"value": 75.000
},
{
"type": "Redundancy",
"value": 3.221
},
{
"type": "CC(1/2)",
"value": 0.334
}
]
},
{
"resolution_limits": [2.330,2.260],
"number_observations": 8703,
"number_observations_unique": 1153,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.909
},
{
"type": "R(meas)",
"value": 2.052
},
{
"type": "I/SigI",
"value": 0.650
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 7.548
},
{
"type": "CC(1/2)",
"value": 0.641
}
]
},
{
"resolution_limits": [2.390,2.330],
"number_observations": 13962,
"number_observations_unique": 1160,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.396
},
{
"type": "R(meas)",
"value": 1.459
},
{
"type": "I/SigI",
"value": 1.310
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 12.036
},
{
"type": "CC(1/2)",
"value": 0.820
}
]
},
{
"resolution_limits": [2.470,2.390],
"number_observations": 17574,
"number_observations_unique": 1137,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.100
},
{
"type": "R(meas)",
"value": 1.137
},
{
"type": "I/SigI",
"value": 2.010
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.456
},
{
"type": "CC(1/2)",
"value": 0.950
}
]
},
{
"resolution_limits": [2.550,2.470],
"number_observations": 23634,
"number_observations_unique": 1142,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.810
},
{
"type": "R(meas)",
"value": 0.831
},
{
"type": "I/SigI",
"value": 3.450
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.695
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [2.640,2.550],
"number_observations": 26349,
"number_observations_unique": 1066,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.572
},
{
"type": "R(meas)",
"value": 0.584
},
{
"type": "I/SigI",
"value": 5.670
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 24.718
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [2.740,2.640],
"number_observations": 27193,
"number_observations_unique": 1039,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.423
},
{
"type": "R(meas)",
"value": 0.431
},
{
"type": "I/SigI",
"value": 7.990
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 26.172
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.850,2.740],
"number_observations": 26349,
"number_observations_unique": 1015,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.303
},
{
"type": "R(meas)",
"value": 0.309
},
{
"type": "I/SigI",
"value": 10.970
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 25.960
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.980,2.850],
"number_observations": 24691,
"number_observations_unique": 981,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.234
},
{
"type": "R(meas)",
"value": 0.239
},
{
"type": "I/SigI",
"value": 14.180
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 25.169
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.120,2.980],
"number_observations": 22784,
"number_observations_unique": 922,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.177
},
{
"type": "R(meas)",
"value": 0.181
},
{
"type": "I/SigI",
"value": 18.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 24.711
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.290,3.120],
"number_observations": 22189,
"number_observations_unique": 891,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "R(meas)",
"value": 0.139
},
{
"type": "I/SigI",
"value": 23.470
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 24.903
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.490,3.290],
"number_observations": 22001,
"number_observations_unique": 846,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 30.960
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 26.006
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.730,3.490],
"number_observations": 20617,
"number_observations_unique": 797,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 37.610
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 25.868
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.030,3.730],
"number_observations": 18692,
"number_observations_unique": 749,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 43.690
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 24.956
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.410,4.030],
"number_observations": 16899,
"number_observations_unique": 703,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 47.690
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 24.038
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.940,4.410],
"number_observations": 15284,
"number_observations_unique": 638,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 50.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 23.956
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.700,4.940],
"number_observations": 14562,
"number_observations_unique": 571,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 52.250
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 25.503
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.980,5.700],
"number_observations": 12025,
"number_observations_unique": 499,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 52.150
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 24.098
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [9.870,6.980],
"number_observations": 8716,
"number_observations_unique": 402,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 56.270
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.682
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [48.230,9.870],
"number_observations": 5004,
"number_observations_unique": 251,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 60.600
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 19.936
}
]
}
]
}