Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7640e4c549f0235119215cca37ac972f",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 70.43,
"b": 37.91,
"c": 33.01,
"alpha": 90.00,
"beta": 105.96,
"gamma": 90.00
},
"wavelengths": [1.00000,1.50000,4.50000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,1.45],
"number_observations_unique": 15007,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1976
},
{
"type": "I/SigI",
"value": 25.2
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 6.7
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.48,1.45],
"number_observations_unique": 748,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.4602
},
{
"type": "R(pim)",
"value": 0.1926
},
{
"type": "CC(1/2)",
"value": 0.894
}
]
},
{
"resolution_limits": [1.66,1.60],
"number_observations_unique": 6888,
"quality_factors": [
]
}
]
}