Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dfe0d6f081ee021ca88021cd8480b88b",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 116.64,
"b": 59.84,
"c": 101.09,
"alpha": 90.00,
"beta": 120.97,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.339,1.850],
"number_observations_unique": 49982,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 15.230
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 2.648
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.900,1.850],
"number_observations_unique": 3396,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.388
},
{
"type": "R(meas)",
"value": 0.549
},
{
"type": "I/SigI",
"value": 2.030
},
{
"type": "Completeness",
"value": 90.300
},
{
"type": "Redundancy",
"value": 1.712
},
{
"type": "CC(1/2)",
"value": 0.863
}
]
},
{
"resolution_limits": [1.950,1.900],
"number_observations_unique": 3433,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.262
},
{
"type": "R(meas)",
"value": 0.371
},
{
"type": "I/SigI",
"value": 2.720
},
{
"type": "Completeness",
"value": 92.800
},
{
"type": "Redundancy",
"value": 1.740
},
{
"type": "CC(1/2)",
"value": 0.918
}
]
},
{
"resolution_limits": [2.010,1.950],
"number_observations_unique": 3375,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.215
},
{
"type": "R(meas)",
"value": 0.305
},
{
"type": "I/SigI",
"value": 3.530
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 1.768
},
{
"type": "CC(1/2)",
"value": 0.917
}
]
},
{
"resolution_limits": [2.070,2.010],
"number_observations_unique": 3365,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "R(meas)",
"value": 0.228
},
{
"type": "I/SigI",
"value": 4.840
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 1.794
},
{
"type": "CC(1/2)",
"value": 0.953
}
]
},
{
"resolution_limits": [2.140,2.070],
"number_observations_unique": 3312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "R(meas)",
"value": 0.190
},
{
"type": "I/SigI",
"value": 6.050
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 1.953
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [2.210,2.140],
"number_observations_unique": 3202,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.151
},
{
"type": "I/SigI",
"value": 7.970
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 2.290
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [2.290,2.210],
"number_observations_unique": 3105,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "I/SigI",
"value": 9.520
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 2.417
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [2.390,2.290],
"number_observations_unique": 2992,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 10.970
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 2.504
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.490,2.390],
"number_observations_unique": 2895,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 12.440
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 2.638
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.620,2.490],
"number_observations_unique": 2759,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 14.510
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 2.795
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.760,2.620],
"number_observations_unique": 2602,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 16.170
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.048
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.930,2.760],
"number_observations_unique": 2503,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 20.170
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.551
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.130,2.930],
"number_observations_unique": 2340,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 23.090
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.693
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.380,3.130],
"number_observations_unique": 2183,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 28.130
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.678
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.700,3.380],
"number_observations_unique": 2024,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 34.330
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.634
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.140,3.700],
"number_observations_unique": 1832,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 37.880
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.632
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.780,4.140],
"number_observations_unique": 1603,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 39.900
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.632
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.850,4.780],
"number_observations_unique": 1382,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 39.620
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.692
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [8.270,5.850],
"number_observations_unique": 1086,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 39.030
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.663
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [43.339,8.270],
"number_observations_unique": 593,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 41.630
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 3.427
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}