Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "15b523920a9882e9ba81d59806c3cbba",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 42.407,
"b": 54.372,
"c": 56.738,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.70049],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.41,0.98],
"number_observations_unique": 76040,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 23.8
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 6.6
},
{
"type": "CC(1/2)",
"value": 1.0
}
]
},
"refln_shells": [
{
"resolution_limits": [0.983,0.980],
"number_observations_unique": 782,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.783
},
{
"type": "R(pim)",
"value": 0.326
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "CC(1/2)",
"value": 0.8
}
]
}
]
}