Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e3cecd7ad6d8481e8b26e079d33d652a",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 204.80,
"b": 204.91,
"c": 116.15,
"alpha": 90.000,
"beta": 102.306,
"gamma": 90.000
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.55,2.1],
"number_observations_unique": 533989,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1688
},
{
"type": "R(meas)",
"value": 0.1995
},
{
"type": "R(pim)",
"value": 0.1052
},
{
"type": "I/SigI",
"value": 3.70
},
{
"type": "Completeness",
"value": 99.30
},
{
"type": "Redundancy",
"value": 3.5
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
"refln_shells": [
{
"resolution_limits": [2.12,2.1],
"number_observations_unique": 17667,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.21
},
{
"type": "R(meas)",
"value": 2.596
},
{
"type": "R(pim)",
"value": 1.349
},
{
"type": "I/SigI",
"value": 0.61
},
{
"type": "Completeness",
"value": 99.07
},
{
"type": "Redundancy",
"value": 3.7
},
{
"type": "CC(1/2)",
"value": 0.171
}
]
}
]
}