Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d9c505df64afb3099c2c4ad92a8e9c30",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 91.85,
"b": 91.85,
"c": 393.10,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.660,2.650],
"number_observations": 1321851,
"number_observations_unique": 50353,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.267
},
{
"type": "R(meas)",
"value": 0.272
},
{
"type": "I/SigI",
"value": 14.310
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 26.252
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.720,2.650],
"number_observations": 100120,
"number_observations_unique": 3642,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.511
},
{
"type": "R(meas)",
"value": 2.558
},
{
"type": "I/SigI",
"value": 1.660
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 27.490
},
{
"type": "CC(1/2)",
"value": 0.615
}
]
},
{
"resolution_limits": [2.790,2.720],
"number_observations": 97460,
"number_observations_unique": 3546,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.089
},
{
"type": "R(meas)",
"value": 2.128
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 27.484
},
{
"type": "CC(1/2)",
"value": 0.674
}
]
},
{
"resolution_limits": [2.870,2.790],
"number_observations": 94363,
"number_observations_unique": 3483,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.750
},
{
"type": "R(meas)",
"value": 1.783
},
{
"type": "I/SigI",
"value": 2.420
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 27.092
},
{
"type": "CC(1/2)",
"value": 0.767
}
]
},
{
"resolution_limits": [2.960,2.870],
"number_observations": 89958,
"number_observations_unique": 3375,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.414
},
{
"type": "R(meas)",
"value": 1.441
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 26.654
},
{
"type": "CC(1/2)",
"value": 0.841
}
]
},
{
"resolution_limits": [3.060,2.960],
"number_observations": 85288,
"number_observations_unique": 3253,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.098
},
{
"type": "R(meas)",
"value": 1.120
},
{
"type": "I/SigI",
"value": 3.990
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 26.218
},
{
"type": "CC(1/2)",
"value": 0.895
}
]
},
{
"resolution_limits": [3.170,3.060],
"number_observations": 75725,
"number_observations_unique": 3168,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.941
},
{
"type": "R(meas)",
"value": 0.961
},
{
"type": "I/SigI",
"value": 4.570
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 23.903
},
{
"type": "CC(1/2)",
"value": 0.909
}
]
},
{
"resolution_limits": [3.290,3.170],
"number_observations": 83594,
"number_observations_unique": 3054,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.722
},
{
"type": "R(meas)",
"value": 0.735
},
{
"type": "I/SigI",
"value": 6.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 27.372
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
},
{
"resolution_limits": [3.420,3.290],
"number_observations": 80921,
"number_observations_unique": 2956,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.532
},
{
"type": "R(meas)",
"value": 0.542
},
{
"type": "I/SigI",
"value": 8.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 27.375
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [3.570,3.420],
"number_observations": 76364,
"number_observations_unique": 2812,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.390
},
{
"type": "R(meas)",
"value": 0.398
},
{
"type": "I/SigI",
"value": 11.120
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 27.156
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [3.750,3.570],
"number_observations": 72972,
"number_observations_unique": 2708,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.321
},
{
"type": "R(meas)",
"value": 0.327
},
{
"type": "I/SigI",
"value": 13.430
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 26.947
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [3.950,3.750],
"number_observations": 68658,
"number_observations_unique": 2617,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.244
},
{
"type": "R(meas)",
"value": 0.249
},
{
"type": "I/SigI",
"value": 16.960
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 26.235
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [4.190,3.950],
"number_observations": 58925,
"number_observations_unique": 2480,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.180
},
{
"type": "R(meas)",
"value": 0.184
},
{
"type": "I/SigI",
"value": 20.820
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 23.760
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.480,4.190],
"number_observations": 63534,
"number_observations_unique": 2317,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(meas)",
"value": 0.144
},
{
"type": "I/SigI",
"value": 27.320
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 27.421
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.840,4.480],
"number_observations": 58760,
"number_observations_unique": 2183,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "I/SigI",
"value": 31.350
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 26.917
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.300,4.840],
"number_observations": 52790,
"number_observations_unique": 2005,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "I/SigI",
"value": 29.920
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 26.329
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.930,5.300],
"number_observations": 45754,
"number_observations_unique": 1852,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "R(meas)",
"value": 0.132
},
{
"type": "I/SigI",
"value": 27.530
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 24.705
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.840,5.930],
"number_observations": 40157,
"number_observations_unique": 1646,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "I/SigI",
"value": 29.550
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 24.397
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [8.380,6.840],
"number_observations": 36405,
"number_observations_unique": 1430,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 42.520
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 25.458
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [11.850,8.380],
"number_observations": 25798,
"number_observations_unique": 1140,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 54.540
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 22.630
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [39.660,11.850],
"number_observations": 14305,
"number_observations_unique": 686,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 56.700
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 20.853
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}