Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3e0af3016e834d576f25001229ec63e3",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.485,
"b": 41.498,
"c": 72.280,
"alpha": 90.00,
"beta": 104.42,
"gamma": 90.00
},
"wavelengths": [1.00800],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.50,2.15],
"number_observations_unique": 13493,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.225
},
{
"type": "R(pim)",
"value": 0.112
},
{
"type": "I/SigI",
"value": 5.7
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 5.0
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
"refln_shells": [
{
"resolution_limits": [2.21,2.15],
"number_observations_unique": 1034,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.793
},
{
"type": "R(pim)",
"value": 0.396
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 92.4
},
{
"type": "Redundancy",
"value": 4.8
},
{
"type": "CC(1/2)",
"value": 0.755
}
]
}
]
}