Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a3c028857e488e1bdac51cfbafea6d4e",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 97.236,
"b": 82.900,
"c": 51.489,
"alpha": 90.000,
"beta": 115.123,
"gamma": 90.000
},
"wavelengths": [0.97853],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.44,1.73],
"number_observations_unique": 37429,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 21.6
},
{
"type": "Completeness",
"value": 97.2
},
{
"type": "Redundancy",
"value": 10.1
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.76,1.73],
"number_observations_unique": 1963,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.046
},
{
"type": "R(pim)",
"value": 0.345
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 93.3
},
{
"type": "CC(1/2)",
"value": 0.799
}
]
}
]
}