Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "4112fad8dfd176fea9fe5f56034b8e7f",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 52.477,
"b": 81.980,
"c": 91.743,
"alpha": 90.00,
"beta": 95.45,
"gamma": 90.00
},
"wavelengths": [1.54060],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.51,1.80],
"number_observations_unique": 34963,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 12.39
},
{
"type": "Completeness",
"value": 97.5
},
{
"type": "Redundancy",
"value": 4.5
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
"refln_shells": [
{
"resolution_limits": [1.86,1.80],
"number_observations_unique": 3491,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.613
},
{
"type": "R(pim)",
"value": 0.333
},
{
"type": "I/SigI",
"value": 1.34
},
{
"type": "Completeness",
"value": 95.2
},
{
"type": "Redundancy",
"value": 4.3
},
{
"type": "CC(1/2)",
"value": 0.647
}
]
}
]
}