Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5e217456262bc39ccc7b3dacb1b50cb7",
"space_group_name": "H 3",
"unit_cell": {
"a": 135.099,
"b": 135.099,
"c": 234.258,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97820],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.49,2.390],
"number_observations": 239577,
"number_observations_unique": 62700,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 10.510
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.821
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.450,2.390],
"number_observations": 15561,
"number_observations_unique": 4642,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.980
},
{
"type": "R(meas)",
"value": 1.163
},
{
"type": "I/SigI",
"value": 1.270
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.352
},
{
"type": "CC(1/2)",
"value": 0.478
}
]
},
{
"resolution_limits": [2.520,2.450],
"number_observations": 15384,
"number_observations_unique": 4465,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.820
},
{
"type": "R(meas)",
"value": 0.968
},
{
"type": "I/SigI",
"value": 1.540
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.445
},
{
"type": "CC(1/2)",
"value": 0.555
}
]
},
{
"resolution_limits": [2.590,2.520],
"number_observations": 15381,
"number_observations_unique": 4415,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.649
},
{
"type": "R(meas)",
"value": 0.763
},
{
"type": "I/SigI",
"value": 2.020
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.484
},
{
"type": "CC(1/2)",
"value": 0.676
}
]
},
{
"resolution_limits": [2.670,2.590],
"number_observations": 15151,
"number_observations_unique": 4264,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.551
},
{
"type": "R(meas)",
"value": 0.647
},
{
"type": "I/SigI",
"value": 2.470
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.553
},
{
"type": "CC(1/2)",
"value": 0.743
}
]
},
{
"resolution_limits": [2.760,2.670],
"number_observations": 15279,
"number_observations_unique": 4185,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.451
},
{
"type": "R(meas)",
"value": 0.528
},
{
"type": "I/SigI",
"value": 3.030
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.651
},
{
"type": "CC(1/2)",
"value": 0.796
}
]
},
{
"resolution_limits": [2.860,2.760],
"number_observations": 14803,
"number_observations_unique": 3969,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.377
},
{
"type": "R(meas)",
"value": 0.440
},
{
"type": "I/SigI",
"value": 3.660
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.730
},
{
"type": "CC(1/2)",
"value": 0.872
}
]
},
{
"resolution_limits": [2.960,2.860],
"number_observations": 14658,
"number_observations_unique": 3865,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.306
},
{
"type": "R(meas)",
"value": 0.356
},
{
"type": "I/SigI",
"value": 4.600
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.792
},
{
"type": "CC(1/2)",
"value": 0.913
}
]
},
{
"resolution_limits": [3.090,2.960],
"number_observations": 14438,
"number_observations_unique": 3737,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.251
},
{
"type": "R(meas)",
"value": 0.292
},
{
"type": "I/SigI",
"value": 5.660
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.864
},
{
"type": "CC(1/2)",
"value": 0.939
}
]
},
{
"resolution_limits": [3.220,3.090],
"number_observations": 14041,
"number_observations_unique": 3556,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.191
},
{
"type": "R(meas)",
"value": 0.220
},
{
"type": "I/SigI",
"value": 7.590
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.949
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
},
{
"resolution_limits": [3.380,3.220],
"number_observations": 13821,
"number_observations_unique": 3427,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "R(meas)",
"value": 0.166
},
{
"type": "I/SigI",
"value": 10.030
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.033
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [3.560,3.380],
"number_observations": 13299,
"number_observations_unique": 3286,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "I/SigI",
"value": 13.430
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.047
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [3.780,3.560],
"number_observations": 12452,
"number_observations_unique": 3026,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 16.570
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.115
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [4.040,3.780],
"number_observations": 11890,
"number_observations_unique": 2883,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 19.710
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.124
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.360,4.040],
"number_observations": 11113,
"number_observations_unique": 2702,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 22.530
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.113
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.780,4.360],
"number_observations": 9983,
"number_observations_unique": 2436,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 25.420
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.098
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.340,4.780],
"number_observations": 9258,
"number_observations_unique": 2239,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 25.710
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.135
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [6.170,5.340],
"number_observations": 8217,
"number_observations_unique": 1986,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 24.560
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.137
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [7.560,6.170],
"number_observations": 6789,
"number_observations_unique": 1636,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 28.240
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.150
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [10.690,7.560],
"number_observations": 5286,
"number_observations_unique": 1289,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 35.980
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.101
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [43.490,10.690],
"number_observations": 2773,
"number_observations_unique": 692,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 37.920
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 4.007
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}