Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0f764de03cfc4b594425794a330b0cc1",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.333,
"b": 41.292,
"c": 71.688,
"alpha": 90.000,
"beta": 104.356,
"gamma": 90.000
},
"wavelengths": [0.95366],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.29,1.3],
"number_observations_unique": 58740,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 12.2
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 6.6
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.32,1.30],
"number_observations_unique": 2886,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.627
},
{
"type": "R(pim)",
"value": 0.416
},
{
"type": "CC(1/2)",
"value": 0.825
}
]
}
]
}