Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d8011ef78e0bea525b80f77c4cd6a4bc",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 140.296,
"b": 71.059,
"c": 51.960,
"alpha": 90.00,
"beta": 96.78,
"gamma": 90.00
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [69.66,2.22],
"number_observations": 159305,
"number_observations_unique": 24331,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 14.7
},
{
"type": "Completeness",
"value": 97.1
},
{
"type": "Redundancy",
"value": 6.5
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.34,2.22],
"number_observations": 12844,
"number_observations_unique": 2906,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.366
},
{
"type": "R(meas)",
"value": 0.454
},
{
"type": "R(pim)",
"value": 0.198
},
{
"type": "I/SigI",
"value": 2.9
},
{
"type": "Redundancy",
"value": 4.4
},
{
"type": "CC(1/2)",
"value": 0.947
}
]
}
]
}