Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3d8a70052c946a9f991b278d54b2a5d2",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 59.334,
"b": 42.947,
"c": 95.075,
"alpha": 90.00,
"beta": 107.87,
"gamma": 90.00
},
"wavelengths": [0.97624],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [90.9,1.4],
"number_observations_unique": 86584,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.014
},
{
"type": "R(pim)",
"value": 0.01
},
{
"type": "I/SigI",
"value": 5.9
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 4.3
},
{
"type": "CC(1/2)",
"value": 0.98
}
]
},
"refln_shells": [
{
"resolution_limits": [1.42,1.4],
"number_observations_unique": 3231,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.52
},
{
"type": "R(pim)",
"value": 0.43
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Completeness",
"value": 74
},
{
"type": "Redundancy",
"value": 3.5
},
{
"type": "CC(1/2)",
"value": 0.68
}
]
}
]
}