Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "96b4dcdea6bca7d84bc0da42dc2ef3cb",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 83.189,
"b": 83.189,
"c": 67.633,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54000,2.80000,4.50000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.00,2.2],
"number_observations_unique": 13696,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 19.5
},
{
"type": "Completeness",
"value": 97.1
},
{
"type": "Redundancy",
"value": 4.3
}
]
},
"refln_shells": [
{
"resolution_limits": [2.28,1.89],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.627
},
{
"type": "I/SigI",
"value": 2.3
},
{
"type": "Completeness",
"value": 95.2
},
{
"type": "Redundancy",
"value": 4.4
}
]
},
{
"resolution_limits": [2.63,2.49],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.337
},
{
"type": "I/SigI",
"value": 1.7
},
{
"type": "Completeness",
"value": 58.5
},
{
"type": "Redundancy",
"value": 2.6
}
]
}
]
}