Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "c5b07d2e307100047fe899fbcddc15d7",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 67.417,
"b": 67.417,
"c": 60.798,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [2.80000,4.50000,1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.74,2.4],
"number_observations_unique": 5059,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 5.7
},
{
"type": "Completeness",
"value": 81.3
},
{
"type": "Redundancy",
"value": 5.6
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
"refln_shells": [
{
"resolution_limits": [2.53,2.4],
"number_observations_unique": 577,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.326
},
{
"type": "R(pim)",
"value": 0.156
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "Completeness",
"value": 64.3
},
{
"type": "Redundancy",
"value": 4.0
},
{
"type": "CC(1/2)",
"value": 0.736
}
]
},
{
"resolution_limits": [2.28,2.2],
"number_observations_unique": 844,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.663
},
{
"type": "R(pim)",
"value": 0.355
},
{
"type": "I/SigI",
"value": 1.2
},
{
"type": "Completeness",
"value": 93.8
},
{
"type": "Redundancy",
"value": 4.4
},
{
"type": "CC(1/2)",
"value": 0.554
}
]
}
]
}