Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "a541368c4a06d3d8c321aeccdf80f7a9",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 54.706,
"b": 98.974,
"c": 58.828,
"alpha": 90.00,
"beta": 107.52,
"gamma": 90.00
},
"wavelengths": [0.98700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.56,2.21],
"number_observations_unique": 29455,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 9.5
},
{
"type": "Completeness",
"value": 98.3
},
{
"type": "Redundancy",
"value": 2
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.29,2.21],
"number_observations_unique": 2935,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.246
},
{
"type": "I/SigI",
"value": 3.0
},
{
"type": "CC(1/2)",
"value": 0.844
}
]
}
]
}