Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f9caf2dcd43422027c5b88b8f800d11c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 52.580,
"b": 65.440,
"c": 72.225,
"alpha": 90.000,
"beta": 110.856,
"gamma": 90.000
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.98,2.75],
"number_observations_unique": 15824,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.05685
},
{
"type": "I/SigI",
"value": 6.7
},
{
"type": "Completeness",
"value": 89.41
},
{
"type": "Redundancy",
"value": 2.2
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [3.02,2.75],
"number_observations_unique": 800,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.995
},
{
"type": "I/SigI",
"value": 0.26
},
{
"type": "Completeness",
"value": 87.65
},
{
"type": "CC(1/2)",
"value": 0.176
}
]
}
]
}