Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "662dacfc22cdc83c7c59f379280f7326",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 59.857,
"b": 64.203,
"c": 74.639,
"alpha": 90.00,
"beta": 113.31,
"gamma": 90.00
},
"wavelengths": [1.00003],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.74,2.9],
"number_observations_unique": 11517,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.255
},
{
"type": "R(pim)",
"value": 0.157
},
{
"type": "I/SigI",
"value": 7.7
},
{
"type": "Completeness",
"value": 98.7
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
"refln_shells": [
{
"resolution_limits": [3.08,2.90],
"number_observations_unique": 1846,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.966
},
{
"type": "R(pim)",
"value": 0.597
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 6.7
},
{
"type": "CC(1/2)",
"value": 0.73
}
]
}
]
}