Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3075e46d0a89712dd92d0146a47ecbaa",
"space_group_name": "P 63",
"unit_cell": {
"a": 60.63,
"b": 60.63,
"c": 110.64,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.80000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47,1.270],
"number_observations_unique": 60573,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "R(meas)",
"value": 0.134
},
{
"type": "I/SigI",
"value": 22.250
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 81.457
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.300,1.270],
"number_observations_unique": 4489,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.331
},
{
"type": "R(meas)",
"value": 4.359
},
{
"type": "I/SigI",
"value": 1.090
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 77.366
},
{
"type": "CC(1/2)",
"value": 0.510
}
]
},
{
"resolution_limits": [1.340,1.300],
"number_observations_unique": 4362,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.913
},
{
"type": "R(meas)",
"value": 3.938
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 79.898
},
{
"type": "CC(1/2)",
"value": 0.543
}
]
},
{
"resolution_limits": [1.380,1.340],
"number_observations_unique": 4227,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.013
},
{
"type": "R(meas)",
"value": 3.032
},
{
"type": "I/SigI",
"value": 1.850
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 79.045
},
{
"type": "CC(1/2)",
"value": 0.665
}
]
},
{
"resolution_limits": [1.420,1.380],
"number_observations_unique": 4117,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.352
},
{
"type": "R(meas)",
"value": 2.366
},
{
"type": "I/SigI",
"value": 2.570
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 82.570
},
{
"type": "CC(1/2)",
"value": 0.770
}
]
},
{
"resolution_limits": [1.470,1.420],
"number_observations_unique": 3994,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.834
},
{
"type": "R(meas)",
"value": 1.845
},
{
"type": "I/SigI",
"value": 3.450
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 83.721
},
{
"type": "CC(1/2)",
"value": 0.830
}
]
},
{
"resolution_limits": [1.520,1.470],
"number_observations_unique": 3889,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.395
},
{
"type": "R(meas)",
"value": 1.403
},
{
"type": "I/SigI",
"value": 4.780
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 83.224
},
{
"type": "CC(1/2)",
"value": 0.932
}
]
},
{
"resolution_limits": [1.580,1.520],
"number_observations_unique": 3671,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.099
},
{
"type": "R(meas)",
"value": 1.106
},
{
"type": "I/SigI",
"value": 6.310
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 82.330
},
{
"type": "CC(1/2)",
"value": 0.931
}
]
},
{
"resolution_limits": [1.640,1.580],
"number_observations_unique": 3631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.802
},
{
"type": "R(meas)",
"value": 0.807
},
{
"type": "I/SigI",
"value": 8.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 78.628
},
{
"type": "CC(1/2)",
"value": 0.959
}
]
},
{
"resolution_limits": [1.710,1.640],
"number_observations_unique": 3389,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.636
},
{
"type": "R(meas)",
"value": 0.640
},
{
"type": "I/SigI",
"value": 11.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 82.164
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [1.800,1.710],
"number_observations_unique": 3308,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.481
},
{
"type": "R(meas)",
"value": 0.484
},
{
"type": "I/SigI",
"value": 15.210
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 81.325
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [1.890,1.800],
"number_observations_unique": 3127,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.363
},
{
"type": "R(meas)",
"value": 0.365
},
{
"type": "I/SigI",
"value": 20.690
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 86.114
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.010,1.890],
"number_observations_unique": 2986,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.261
},
{
"type": "R(meas)",
"value": 0.262
},
{
"type": "I/SigI",
"value": 28.720
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 85.105
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.150,2.010],
"number_observations_unique": 2757,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "R(meas)",
"value": 0.173
},
{
"type": "I/SigI",
"value": 40.040
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 82.840
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.320,2.150],
"number_observations_unique": 2610,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "R(meas)",
"value": 0.147
},
{
"type": "I/SigI",
"value": 47.480
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 78.015
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.540,2.320],
"number_observations_unique": 2368,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "I/SigI",
"value": 56.930
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 80.210
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.840,2.540],
"number_observations_unique": 2161,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 68.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 82.663
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.280,2.840],
"number_observations_unique": 1905,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 78.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 84.048
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.020,3.280],
"number_observations_unique": 1641,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 87.090
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 78.286
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [5.680,4.020],
"number_observations_unique": 1239,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 93.360
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 78.915
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [47,5.680],
"number_observations_unique": 702,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 97.350
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 86.396
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}