Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "1f300180f43fa1b09a6add36cf8ca7d5",
"space_group_name": "P 1 2 1",
"unit_cell": {
"a": 68.878,
"b": 47.920,
"c": 84.424,
"alpha": 90.00,
"beta": 97.93,
"gamma": 90.00
},
"wavelengths": [0.95371],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.66,1.68],
"number_observations_unique": 62042,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "R(meas)",
"value": 0.186
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 5.8
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 5.5
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.71,1.68],
"number_observations_unique": 2918,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.454
},
{
"type": "R(meas)",
"value": 1.045
},
{
"type": "R(pim)",
"value": 0.849
},
{
"type": "Redundancy",
"value": 3.7
},
{
"type": "CC(1/2)",
"value": 0.435
}
]
}
]
}