Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ca00c210e5bbd221a6a20d8b1d715c85",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 70.770,
"b": 113.925,
"c": 129.858,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98750],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,1.90],
"number_observations": 1058084,
"number_observations_unique": 82455,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.240
},
{
"type": "R(meas)",
"value": 0.250
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 3.6
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 12.8
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.97,1.90],
"number_observations_unique": 8172,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.395
},
{
"type": "R(meas)",
"value": 2.494
},
{
"type": "R(pim)",
"value": 0.692
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.5
},
{
"type": "CC(1/2)",
"value": 0.719
}
]
},
{
"resolution_limits": [2.05,1.97],
"number_observations_unique": 8112,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.687
},
{
"type": "R(meas)",
"value": 1.763
},
{
"type": "R(pim)",
"value": 0.503
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 11.9
},
{
"type": "CC(1/2)",
"value": 0.832
}
]
},
{
"resolution_limits": [2.14,2.05],
"number_observations_unique": 8189,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.189
},
{
"type": "R(meas)",
"value": 1.238
},
{
"type": "R(pim)",
"value": 0.341
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 12.9
},
{
"type": "CC(1/2)",
"value": 0.861
}
]
},
{
"resolution_limits": [2.25,2.14],
"number_observations_unique": 8130,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.335
},
{
"type": "R(meas)",
"value": 1.387
},
{
"type": "R(pim)",
"value": 0.375
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 13.2
},
{
"type": "CC(1/2)",
"value": 0.891
}
]
},
{
"resolution_limits": [2.39,2.25],
"number_observations_unique": 8223,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.842
},
{
"type": "R(meas)",
"value": 0.876
},
{
"type": "R(pim)",
"value": 0.240
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 13.0
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [2.58,2.39],
"number_observations_unique": 8195,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.383
},
{
"type": "R(meas)",
"value": 0.399
},
{
"type": "R(pim)",
"value": 0.112
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 12.4
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [2.84,2.58],
"number_observations_unique": 8238,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.262
},
{
"type": "R(meas)",
"value": 0.272
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 13.5
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [3.25,2.84],
"number_observations_unique": 8259,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "R(meas)",
"value": 0.171
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 12.7
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [4.09,3.25],
"number_observations_unique": 8345,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "R(meas)",
"value": 0.130
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 13.6
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [50.00,4.09],
"number_observations_unique": 8592,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 12.6
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}