Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "876986ad6d9fd225481b82f158790077",
"space_group_name": "H 3",
"unit_cell": {
"a": 136.146,
"b": 136.146,
"c": 235.981,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.790,2.310],
"number_observations": 251346,
"number_observations_unique": 70620,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.153
},
{
"type": "I/SigI",
"value": 6.710
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.559
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
"refln_shells": [
{
"resolution_limits": [2.370,2.310],
"number_observations": 12981,
"number_observations_unique": 4565,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.536
},
{
"type": "R(meas)",
"value": 0.647
},
{
"type": "I/SigI",
"value": 1.830
},
{
"type": "Completeness",
"value": 86.100
},
{
"type": "Redundancy",
"value": 2.844
},
{
"type": "CC(1/2)",
"value": 0.554
}
]
},
{
"resolution_limits": [2.430,2.370],
"number_observations": 15577,
"number_observations_unique": 5081,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.478
},
{
"type": "R(meas)",
"value": 0.576
},
{
"type": "I/SigI",
"value": 2.170
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.066
},
{
"type": "CC(1/2)",
"value": 0.608
}
]
},
{
"resolution_limits": [2.510,2.430],
"number_observations": 16482,
"number_observations_unique": 4981,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.418
},
{
"type": "R(meas)",
"value": 0.498
},
{
"type": "I/SigI",
"value": 2.640
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.309
},
{
"type": "CC(1/2)",
"value": 0.667
}
]
},
{
"resolution_limits": [2.580,2.510],
"number_observations": 16490,
"number_observations_unique": 4876,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.351
},
{
"type": "R(meas)",
"value": 0.417
},
{
"type": "I/SigI",
"value": 3.220
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.382
},
{
"type": "CC(1/2)",
"value": 0.754
}
]
},
{
"resolution_limits": [2.670,2.580],
"number_observations": 16096,
"number_observations_unique": 4678,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.305
},
{
"type": "R(meas)",
"value": 0.362
},
{
"type": "I/SigI",
"value": 3.850
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.441
},
{
"type": "CC(1/2)",
"value": 0.797
}
]
},
{
"resolution_limits": [2.760,2.670],
"number_observations": 15867,
"number_observations_unique": 4514,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.266
},
{
"type": "R(meas)",
"value": 0.314
},
{
"type": "I/SigI",
"value": 4.490
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.515
},
{
"type": "CC(1/2)",
"value": 0.832
}
]
},
{
"resolution_limits": [2.870,2.760],
"number_observations": 15929,
"number_observations_unique": 4434,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.240
},
{
"type": "R(meas)",
"value": 0.282
},
{
"type": "I/SigI",
"value": 5.050
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.592
},
{
"type": "CC(1/2)",
"value": 0.877
}
]
},
{
"resolution_limits": [2.980,2.870],
"number_observations": 15656,
"number_observations_unique": 4253,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.208
},
{
"type": "R(meas)",
"value": 0.243
},
{
"type": "I/SigI",
"value": 5.990
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.681
},
{
"type": "CC(1/2)",
"value": 0.902
}
]
},
{
"resolution_limits": [3.110,2.980],
"number_observations": 15256,
"number_observations_unique": 4062,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "R(meas)",
"value": 0.214
},
{
"type": "I/SigI",
"value": 7.010
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.756
},
{
"type": "CC(1/2)",
"value": 0.923
}
]
},
{
"resolution_limits": [3.270,3.110],
"number_observations": 14907,
"number_observations_unique": 3911,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "R(meas)",
"value": 0.186
},
{
"type": "I/SigI",
"value": 8.090
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.812
},
{
"type": "CC(1/2)",
"value": 0.942
}
]
},
{
"resolution_limits": [3.440,3.270],
"number_observations": 14003,
"number_observations_unique": 3665,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "R(meas)",
"value": 0.162
},
{
"type": "I/SigI",
"value": 9.370
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.821
},
{
"type": "CC(1/2)",
"value": 0.950
}
]
},
{
"resolution_limits": [3.650,3.440],
"number_observations": 13313,
"number_observations_unique": 3497,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(meas)",
"value": 0.145
},
{
"type": "I/SigI",
"value": 10.140
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.807
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
{
"resolution_limits": [3.900,3.650],
"number_observations": 12555,
"number_observations_unique": 3310,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.135
},
{
"type": "I/SigI",
"value": 10.810
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.793
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [4.220,3.900],
"number_observations": 11440,
"number_observations_unique": 3021,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 11.340
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.787
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
{
"resolution_limits": [4.620,4.220],
"number_observations": 10870,
"number_observations_unique": 2864,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.795
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
{
"resolution_limits": [5.170,4.620],
"number_observations": 9574,
"number_observations_unique": 2524,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "I/SigI",
"value": 11.790
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.793
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [5.960,5.170],
"number_observations": 8532,
"number_observations_unique": 2233,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "I/SigI",
"value": 11.610
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.821
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [7.300,5.960],
"number_observations": 7215,
"number_observations_unique": 1891,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 11.810
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.815
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [10.330,7.300],
"number_observations": 5626,
"number_observations_unique": 1475,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.814
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [43.790,10.330],
"number_observations": 2977,
"number_observations_unique": 785,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 12.510
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.792
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
}
]
}