Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c354b86a198c249ad4a75be43038d98f",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 39.50,
"b": 67.96,
"c": 40.29,
"alpha": 90.00,
"beta": 93.53,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.21,1.29],
"number_observations_unique": 53415,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 12.6
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.32,1.29],
"number_observations_unique": 3936,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.705
},
{
"type": "R(meas)",
"value": 0.763
},
{
"type": "R(pim)",
"value": 0.290
},
{
"type": "I/SigI",
"value": 2.3
},
{
"type": "CC(1/2)",
"value": 0.816
}
]
}
]
}