Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e5d52312d2e0c18f6023ebbf308c3b2f",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 50.670,
"b": 215.680,
"c": 215.624,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.72200],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.330,2.310],
"number_observations": 341251,
"number_observations_unique": 52288,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 8.490
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.458
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.370,2.310],
"number_observations": 23926,
"number_observations_unique": 6965,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.691
},
{
"type": "R(meas)",
"value": 0.817
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 3.435
},
{
"type": "CC(1/2)",
"value": 0.802
}
]
},
{
"resolution_limits": [2.440,2.370],
"number_observations": 24549,
"number_observations_unique": 7175,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.552
},
{
"type": "R(meas)",
"value": 0.654
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.421
},
{
"type": "CC(1/2)",
"value": 0.864
}
]
},
{
"resolution_limits": [2.510,2.440],
"number_observations": 23820,
"number_observations_unique": 6999,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.424
},
{
"type": "R(meas)",
"value": 0.504
},
{
"type": "I/SigI",
"value": 2.840
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.403
},
{
"type": "CC(1/2)",
"value": 0.896
}
]
},
{
"resolution_limits": [2.590,2.510],
"number_observations": 22637,
"number_observations_unique": 6726,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.364
},
{
"type": "R(meas)",
"value": 0.435
},
{
"type": "I/SigI",
"value": 3.430
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.366
},
{
"type": "CC(1/2)",
"value": 0.903
}
]
},
{
"resolution_limits": [2.670,2.590],
"number_observations": 21239,
"number_observations_unique": 6585,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.271
},
{
"type": "R(meas)",
"value": 0.326
},
{
"type": "I/SigI",
"value": 4.150
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.225
},
{
"type": "CC(1/2)",
"value": 0.937
}
]
},
{
"resolution_limits": [2.770,2.670],
"number_observations": 18269,
"number_observations_unique": 6170,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.205
},
{
"type": "R(meas)",
"value": 0.252
},
{
"type": "I/SigI",
"value": 4.960
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 2.961
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
},
{
"resolution_limits": [2.870,2.770],
"number_observations": 21903,
"number_observations_unique": 6142,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "R(meas)",
"value": 0.194
},
{
"type": "I/SigI",
"value": 6.840
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.566
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [2.990,2.870],
"number_observations": 21185,
"number_observations_unique": 5922,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "R(meas)",
"value": 0.162
},
{
"type": "I/SigI",
"value": 7.920
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.577
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [3.120,2.990],
"number_observations": 20066,
"number_observations_unique": 5613,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.132
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.575
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [3.270,3.120],
"number_observations": 19350,
"number_observations_unique": 5382,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 10.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.595
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [3.450,3.270],
"number_observations": 18439,
"number_observations_unique": 5131,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 12.250
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.594
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [3.660,3.450],
"number_observations": 17457,
"number_observations_unique": 4866,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 13.410
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.588
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [3.910,3.660],
"number_observations": 16273,
"number_observations_unique": 4561,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 14.230
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.568
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [4.220,3.910],
"number_observations": 14590,
"number_observations_unique": 4226,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 14.650
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.452
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [4.630,4.220],
"number_observations": 12635,
"number_observations_unique": 3884,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 14.670
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.253
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [5.170,4.630],
"number_observations": 10707,
"number_observations_unique": 3425,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 14.470
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 3.126
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [5.970,5.170],
"number_observations": 12019,
"number_observations_unique": 3112,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 15.930
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.862
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [7.320,5.970],
"number_observations": 10323,
"number_observations_unique": 2673,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 16.150
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.862
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [10.350,7.320],
"number_observations": 7840,
"number_observations_unique": 2036,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 17.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.851
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [49.330,10.350],
"number_observations": 4024,
"number_observations_unique": 1093,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 17.170
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.682
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}