Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "097b4df7bffcadb75075b24aeac305cc",
"space_group_name": "P 1",
"unit_cell": {
"a": 36.073,
"b": 41.987,
"c": 70.380,
"alpha": 82.0,
"beta": 90.0,
"gamma": 72.1
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,2.44],
"number_observations_unique": 13510,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.228
},
{
"type": "R(pim)",
"value": 0.162
},
{
"type": "I/SigI",
"value": 9.10
},
{
"type": "Completeness",
"value": 93.9
},
{
"type": "Redundancy",
"value": 3.0
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
"refln_shells": [
{
"resolution_limits": [2.48,2.44],
"number_observations_unique": 651,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.924
},
{
"type": "R(pim)",
"value": 0.635
},
{
"type": "I/SigI",
"value": 1.65
},
{
"type": "Completeness",
"value": 90.7
},
{
"type": "CC(1/2)",
"value": 0.398
}
]
}
]
}