Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "57d14a2dc8422b174a63c797b63e582f",
"space_group_name": "H 3 2",
"unit_cell": {
"a": 86.55,
"b": 86.55,
"c": 164.21,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.275,1.810],
"number_observations_unique": 21875,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "R(meas)",
"value": 0.176
},
{
"type": "I/SigI",
"value": 10.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 9.609
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.860,1.810],
"number_observations_unique": 1600,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.890
},
{
"type": "R(meas)",
"value": 2.114
},
{
"type": "I/SigI",
"value": 0.860
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.003
},
{
"type": "CC(1/2)",
"value": 0.591
}
]
},
{
"resolution_limits": [1.910,1.860],
"number_observations_unique": 1561,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.338
},
{
"type": "R(meas)",
"value": 1.499
},
{
"type": "I/SigI",
"value": 1.190
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.927
},
{
"type": "CC(1/2)",
"value": 0.565
}
]
},
{
"resolution_limits": [1.960,1.910],
"number_observations_unique": 1490,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.982
},
{
"type": "R(meas)",
"value": 1.104
},
{
"type": "I/SigI",
"value": 1.590
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.719
},
{
"type": "CC(1/2)",
"value": 0.792
}
]
},
{
"resolution_limits": [2.020,1.960],
"number_observations_unique": 1472,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.148
},
{
"type": "R(meas)",
"value": 1.248
},
{
"type": "I/SigI",
"value": 2.150
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.430
},
{
"type": "CC(1/2)",
"value": 0.807
}
]
},
{
"resolution_limits": [2.090,2.020],
"number_observations_unique": 1417,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.539
},
{
"type": "R(meas)",
"value": 1.610
},
{
"type": "I/SigI",
"value": 3.060
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.730
},
{
"type": "CC(1/2)",
"value": 0.904
}
]
},
{
"resolution_limits": [2.160,2.090],
"number_observations_unique": 1393,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.125
},
{
"type": "R(meas)",
"value": 1.176
},
{
"type": "I/SigI",
"value": 4.010
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.936
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
},
{
"resolution_limits": [2.250,2.160],
"number_observations_unique": 1334,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.030
},
{
"type": "R(meas)",
"value": 1.076
},
{
"type": "I/SigI",
"value": 4.440
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.918
},
{
"type": "CC(1/2)",
"value": 0.940
}
]
},
{
"resolution_limits": [2.340,2.250],
"number_observations_unique": 1295,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.791
},
{
"type": "R(meas)",
"value": 0.827
},
{
"type": "I/SigI",
"value": 5.520
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.881
},
{
"type": "CC(1/2)",
"value": 0.952
}
]
},
{
"resolution_limits": [2.440,2.340],
"number_observations_unique": 1236,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.626
},
{
"type": "R(meas)",
"value": 0.655
},
{
"type": "I/SigI",
"value": 6.390
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.751
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [2.560,2.440],
"number_observations_unique": 1196,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.486
},
{
"type": "R(meas)",
"value": 0.509
},
{
"type": "I/SigI",
"value": 8.640
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.552
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [2.700,2.560],
"number_observations_unique": 1117,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.378
},
{
"type": "R(meas)",
"value": 0.395
},
{
"type": "I/SigI",
"value": 10.470
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.641
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [2.860,2.700],
"number_observations_unique": 1088,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.278
},
{
"type": "R(meas)",
"value": 0.291
},
{
"type": "I/SigI",
"value": 13.010
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.439
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [3.060,2.860],
"number_observations_unique": 994,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.199
},
{
"type": "R(meas)",
"value": 0.209
},
{
"type": "I/SigI",
"value": 15.340
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.193
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.300,3.060],
"number_observations_unique": 945,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "R(meas)",
"value": 0.149
},
{
"type": "I/SigI",
"value": 19.260
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.761
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.620,3.300],
"number_observations_unique": 871,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 22.430
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 9.673
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [4.050,3.620],
"number_observations_unique": 796,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 26.650
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 10.074
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.670,4.050],
"number_observations_unique": 703,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 31.980
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.688
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.720,4.670],
"number_observations_unique": 614,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 33.870
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.591
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [8.090,5.720],
"number_observations_unique": 471,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 34.060
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.257
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [43.275,8.090],
"number_observations_unique": 282,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 33.580
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 9.830
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}