Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0cfbedf0b11947b60732c001c99b02b3",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 83.901,
"b": 91.470,
"c": 119.860,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99999],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.77,1.790],
"number_observations": 584698,
"number_observations_unique": 87397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "R(meas)",
"value": 0.147
},
{
"type": "I/SigI",
"value": 8.280
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.690
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.790],
"number_observations": 43636,
"number_observations_unique": 6374,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.969
},
{
"type": "R(meas)",
"value": 2.128
},
{
"type": "I/SigI",
"value": 0.860
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.846
},
{
"type": "CC(1/2)",
"value": 0.390
}
]
},
{
"resolution_limits": [1.890,1.840],
"number_observations": 42580,
"number_observations_unique": 6208,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.518
},
{
"type": "R(meas)",
"value": 1.640
},
{
"type": "I/SigI",
"value": 1.210
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.859
},
{
"type": "CC(1/2)",
"value": 0.490
}
]
},
{
"resolution_limits": [1.940,1.890],
"number_observations": 41348,
"number_observations_unique": 6091,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.225
},
{
"type": "R(meas)",
"value": 1.326
},
{
"type": "I/SigI",
"value": 1.530
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.788
},
{
"type": "CC(1/2)",
"value": 0.617
}
]
},
{
"resolution_limits": [2.000,1.940],
"number_observations": 38640,
"number_observations_unique": 5885,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.918
},
{
"type": "R(meas)",
"value": 0.996
},
{
"type": "I/SigI",
"value": 2.060
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.566
},
{
"type": "CC(1/2)",
"value": 0.728
}
]
},
{
"resolution_limits": [2.070,2.000],
"number_observations": 36254,
"number_observations_unique": 5700,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.733
},
{
"type": "R(meas)",
"value": 0.798
},
{
"type": "I/SigI",
"value": 2.530
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.360
},
{
"type": "CC(1/2)",
"value": 0.811
}
]
},
{
"resolution_limits": [2.140,2.070],
"number_observations": 38212,
"number_observations_unique": 5531,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.571
},
{
"type": "R(meas)",
"value": 0.617
},
{
"type": "I/SigI",
"value": 3.420
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.909
},
{
"type": "CC(1/2)",
"value": 0.882
}
]
},
{
"resolution_limits": [2.220,2.140],
"number_observations": 36906,
"number_observations_unique": 5365,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.432
},
{
"type": "R(meas)",
"value": 0.467
},
{
"type": "I/SigI",
"value": 4.430
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.879
},
{
"type": "CC(1/2)",
"value": 0.931
}
]
},
{
"resolution_limits": [2.310,2.220],
"number_observations": 34823,
"number_observations_unique": 5129,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.357
},
{
"type": "R(meas)",
"value": 0.386
},
{
"type": "I/SigI",
"value": 5.280
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.789
},
{
"type": "CC(1/2)",
"value": 0.945
}
]
},
{
"resolution_limits": [2.410,2.310],
"number_observations": 32520,
"number_observations_unique": 4953,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.283
},
{
"type": "R(meas)",
"value": 0.307
},
{
"type": "I/SigI",
"value": 6.340
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.566
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
{
"resolution_limits": [2.530,2.410],
"number_observations": 30656,
"number_observations_unique": 4739,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.231
},
{
"type": "R(meas)",
"value": 0.251
},
{
"type": "I/SigI",
"value": 7.290
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.469
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [2.670,2.530],
"number_observations": 31314,
"number_observations_unique": 4495,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "R(meas)",
"value": 0.205
},
{
"type": "I/SigI",
"value": 9.270
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.966
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [2.830,2.670],
"number_observations": 29584,
"number_observations_unique": 4293,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "R(meas)",
"value": 0.159
},
{
"type": "I/SigI",
"value": 11.280
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.891
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [3.030,2.830],
"number_observations": 27215,
"number_observations_unique": 4032,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.131
},
{
"type": "I/SigI",
"value": 13.450
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.750
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [3.270,3.030],
"number_observations": 23789,
"number_observations_unique": 3775,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 15.880
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.302
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.580,3.270],
"number_observations": 23895,
"number_observations_unique": 3468,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 19.880
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.890
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.000,3.580],
"number_observations": 21362,
"number_observations_unique": 3165,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 22.320
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.749
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.620,4.000],
"number_observations": 17491,
"number_observations_unique": 2789,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 23.240
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.271
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [5.660,4.620],
"number_observations": 15757,
"number_observations_unique": 2413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 23.830
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.530
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [8.010,5.660],
"number_observations": 12142,
"number_observations_unique": 1882,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 23.710
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.452
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [48.770,8.010],
"number_observations": 6574,
"number_observations_unique": 1110,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 25.850
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 5.923
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}