Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1bd001c844ed523586eb99905c767709",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 69.06,
"b": 94.09,
"c": 119.68,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.11590],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.045,2.100],
"number_observations_unique": 20562,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 13.760
},
{
"type": "Completeness",
"value": 89.300
},
{
"type": "Redundancy",
"value": 4.636
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.160,2.100],
"number_observations_unique": 1531,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.790
},
{
"type": "R(meas)",
"value": 0.883
},
{
"type": "I/SigI",
"value": 2.440
},
{
"type": "Completeness",
"value": 91.800
},
{
"type": "Redundancy",
"value": 4.518
},
{
"type": "CC(1/2)",
"value": 0.784
}
]
},
{
"resolution_limits": [2.220,2.160],
"number_observations_unique": 1511,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.597
},
{
"type": "R(meas)",
"value": 0.668
},
{
"type": "I/SigI",
"value": 3.300
},
{
"type": "Completeness",
"value": 92.000
},
{
"type": "Redundancy",
"value": 4.509
},
{
"type": "CC(1/2)",
"value": 0.867
}
]
},
{
"resolution_limits": [2.280,2.220],
"number_observations_unique": 1445,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.565
},
{
"type": "R(meas)",
"value": 0.632
},
{
"type": "I/SigI",
"value": 3.690
},
{
"type": "Completeness",
"value": 92.100
},
{
"type": "Redundancy",
"value": 4.563
},
{
"type": "CC(1/2)",
"value": 0.881
}
]
},
{
"resolution_limits": [2.350,2.280],
"number_observations_unique": 1437,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.468
},
{
"type": "R(meas)",
"value": 0.523
},
{
"type": "I/SigI",
"value": 4.400
},
{
"type": "Completeness",
"value": 92.400
},
{
"type": "Redundancy",
"value": 4.558
},
{
"type": "CC(1/2)",
"value": 0.915
}
]
},
{
"resolution_limits": [2.430,2.350],
"number_observations_unique": 1379,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.455
},
{
"type": "R(meas)",
"value": 0.509
},
{
"type": "I/SigI",
"value": 4.910
},
{
"type": "Completeness",
"value": 91.800
},
{
"type": "Redundancy",
"value": 4.574
},
{
"type": "CC(1/2)",
"value": 0.911
}
]
},
{
"resolution_limits": [2.520,2.430],
"number_observations_unique": 1316,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.382
},
{
"type": "R(meas)",
"value": 0.428
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 90.700
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.934
}
]
},
{
"resolution_limits": [2.610,2.520],
"number_observations_unique": 1299,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.332
},
{
"type": "R(meas)",
"value": 0.371
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 91.100
},
{
"type": "Redundancy",
"value": 4.674
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [2.720,2.610],
"number_observations_unique": 1213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.256
},
{
"type": "R(meas)",
"value": 0.287
},
{
"type": "I/SigI",
"value": 8.770
},
{
"type": "Completeness",
"value": 90.300
},
{
"type": "Redundancy",
"value": 4.681
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
{
"resolution_limits": [2.840,2.720],
"number_observations_unique": 1161,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.219
},
{
"type": "R(meas)",
"value": 0.245
},
{
"type": "I/SigI",
"value": 10.470
},
{
"type": "Completeness",
"value": 89.700
},
{
"type": "Redundancy",
"value": 4.666
},
{
"type": "CC(1/2)",
"value": 0.964
}
]
},
{
"resolution_limits": [2.980,2.840],
"number_observations_unique": 1119,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "R(meas)",
"value": 0.182
},
{
"type": "I/SigI",
"value": 13.330
},
{
"type": "Completeness",
"value": 89.200
},
{
"type": "Redundancy",
"value": 4.702
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [3.140,2.980],
"number_observations_unique": 1064,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.134
},
{
"type": "I/SigI",
"value": 16.530
},
{
"type": "Completeness",
"value": 88.500
},
{
"type": "Redundancy",
"value": 4.695
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [3.330,3.140],
"number_observations_unique": 992,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 20.090
},
{
"type": "Completeness",
"value": 88.500
},
{
"type": "Redundancy",
"value": 4.709
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.560,3.330],
"number_observations_unique": 919,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 24.550
},
{
"type": "Completeness",
"value": 87.600
},
{
"type": "Redundancy",
"value": 4.683
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.840,3.560],
"number_observations_unique": 870,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 27.170
},
{
"type": "Completeness",
"value": 86.500
},
{
"type": "Redundancy",
"value": 4.701
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.210,3.840],
"number_observations_unique": 794,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 30.960
},
{
"type": "Completeness",
"value": 87.200
},
{
"type": "Redundancy",
"value": 4.717
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.710,4.210],
"number_observations_unique": 700,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 35.570
},
{
"type": "Completeness",
"value": 84.100
},
{
"type": "Redundancy",
"value": 4.623
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.430,4.710],
"number_observations_unique": 626,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 36.600
},
{
"type": "Completeness",
"value": 84.300
},
{
"type": "Redundancy",
"value": 4.796
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.650,5.430],
"number_observations_unique": 529,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 34.500
},
{
"type": "Completeness",
"value": 83.200
},
{
"type": "Redundancy",
"value": 4.837
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [9.410,6.650],
"number_observations_unique": 420,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 39.180
},
{
"type": "Completeness",
"value": 82.400
},
{
"type": "Redundancy",
"value": 4.760
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [47.045,9.410],
"number_observations_unique": 237,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 42.560
},
{
"type": "Completeness",
"value": 77.700
},
{
"type": "Redundancy",
"value": 4.456
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}