Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a8e83fbec276bfce4ec060eec9a7f687",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 69.65,
"b": 71.09,
"c": 97.38,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000,1.86000,5.76000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.3,1.2],
"number_observations_unique": 144269,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 14.2
},
{
"type": "Completeness",
"value": 95.7
},
{
"type": "Redundancy",
"value": 6.7
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.22,1.20],
"number_observations_unique": 6851,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.885
},
{
"type": "R(pim)",
"value": 0.355
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 92.7
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.730
}
]
},
{
"resolution_limits": [1.76,1.70],
"number_observations_unique": 5058,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.828
},
{
"type": "R(pim)",
"value": 0.378
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 95.7
},
{
"type": "Redundancy",
"value": 5.3
},
{
"type": "CC(1/2)",
"value": 0.428
}
]
}
]
}