Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "2b1b7547e1565cc35727a4a588c0a616",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 43.850,
"b": 79.335,
"c": 113.373,
"alpha": 90.00,
"beta": 99.08,
"gamma": 90.00
},
"wavelengths": [0.96546],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.34,1.94],
"number_observations_unique": 53297,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "R(meas)",
"value": 0.163
},
{
"type": "R(pim)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 4.7
},
{
"type": "Completeness",
"value": 93.5
},
{
"type": "Redundancy",
"value": 2.0
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
},
"refln_shells": [
{
"resolution_limits": [1.98,1.94],
"number_observations": 6294,
"number_observations_unique": 3133,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.941
},
{
"type": "R(meas)",
"value": 1.219
},
{
"type": "R(pim)",
"value": 0.766
},
{
"type": "I/SigI",
"value": 0.8
},
{
"type": "Redundancy",
"value": 2.0
},
{
"type": "CC(1/2)",
"value": 0.327
}
]
}
]
}