Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "def194ef58f1dd6365ae1509ab66da4e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 59.790,
"b": 49.608,
"c": 87.819,
"alpha": 90.000,
"beta": 100.143,
"gamma": 90.000
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [53.20,1.87],
"number_observations_unique": 41865,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 9.7
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 3.7
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.98,1.87],
"number_observations_unique": 4140,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.232
},
{
"type": "R(pim)",
"value": 0.767
},
{
"type": "Completeness",
"value": 99.74
},
{
"type": "CC(1/2)",
"value": 0.36
}
]
}
]
}