Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3fe6a36d4f7a43c9f062491aebae2600",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 54.626,
"b": 84.273,
"c": 87.355,
"alpha": 90.00,
"beta": 98.04,
"gamma": 90.00
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.39,1.74],
"number_observations_unique": 75797,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 12.7
},
{
"type": "Completeness",
"value": 94.6
},
{
"type": "Redundancy",
"value": 3.3
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.80,1.74],
"number_observations_unique": 5834,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.463
},
{
"type": "R(pim)",
"value": 0.406
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Completeness",
"value": 69.7
},
{
"type": "Redundancy",
"value": 2.1
},
{
"type": "CC(1/2)",
"value": 0.687
}
]
}
]
}