Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "19f810543bb09a7ea9f29c07ef1cef90",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.336,
"b": 41.447,
"c": 72.073,
"alpha": 90.00,
"beta": 104.32,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.0,1.45],
"number_observations_unique": 39477,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 21.5
},
{
"type": "Completeness",
"value": 91.6
},
{
"type": "Redundancy",
"value": 7.2
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.47,1.45],
"number_observations_unique": 1476,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 8.3
},
{
"type": "Completeness",
"value": 69.6
},
{
"type": "Redundancy",
"value": 5.9
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
}
]
}