Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9bfa0f7f5345468bd0ee8bfc8f04c3ee",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 88.872,
"b": 82.355,
"c": 92.570,
"alpha": 90.00,
"beta": 107.89,
"gamma": 90.00
},
"wavelengths": [0.82700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [23.420,1.87],
"number_observations": 355152,
"number_observations_unique": 52469,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 15.680
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.760
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.98,1.87],
"number_observations": 56525,
"number_observations_unique": 8448,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.594
},
{
"type": "R(meas)",
"value": 2.808
},
{
"type": "I/SigI",
"value": 0.75
},
{
"type": "Completeness",
"value": 0.992
},
{
"type": "Redundancy",
"value": 6.69
},
{
"type": "CC(1/2)",
"value": 0.374
}
]
},
{
"resolution_limits": [2.12,1.98],
"number_observations": 49598,
"number_observations_unique": 7956,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.066
},
{
"type": "R(meas)",
"value": 1.164
},
{
"type": "I/SigI",
"value": 1.70
},
{
"type": "Completeness",
"value": 0.998
},
{
"type": "Redundancy",
"value": 6.23
},
{
"type": "CC(1/2)",
"value": 0.678
}
]
},
{
"resolution_limits": [2.29,2.12],
"number_observations": 48924,
"number_observations_unique": 7438,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.544
},
{
"type": "R(meas)",
"value": 0.591
},
{
"type": "I/SigI",
"value": 3.45
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.58
},
{
"type": "CC(1/2)",
"value": 0.893
}
]
},
{
"resolution_limits": [2.51,2.29],
"number_observations": 49283,
"number_observations_unique": 6821,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.300
},
{
"type": "R(meas)",
"value": 0.323
},
{
"type": "I/SigI",
"value": 6.65
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 7.23
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [2.80,2.51],
"number_observations": 44456,
"number_observations_unique": 6209,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "R(meas)",
"value": 0.158
},
{
"type": "I/SigI",
"value": 12.62
},
{
"type": "Completeness",
"value": 0.998
},
{
"type": "Redundancy",
"value": 7.16
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.23,2.80],
"number_observations": 37625,
"number_observations_unique": 5465,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 23.42
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.88
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.95,3.23],
"number_observations": 28701,
"number_observations_unique": 4636,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 40.36
},
{
"type": "Completeness",
"value": 1.001
},
{
"type": "Redundancy",
"value": 6.19
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.57,3.95],
"number_observations": 25122,
"number_observations_unique": 3639,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 57.99
},
{
"type": "Completeness",
"value": 0.995
},
{
"type": "Redundancy",
"value": 6.90
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [50.00,5.57],
"number_observations": 14918,
"number_observations_unique": 2057,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 63.55
},
{
"type": "Completeness",
"value": 0.993
},
{
"type": "Redundancy",
"value": 7.25
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}