Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4fa0914a8139b2b1a51f0d02d2b83d5f",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 114.637,
"b": 87.739,
"c": 91.008,
"alpha": 90.00,
"beta": 110.66,
"gamma": 90.00
},
"wavelengths": [0.97628],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.12,2.00],
"number_observations": 400155,
"number_observations_unique": 57013,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 11.6
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.05,2.00],
"number_observations": 29852,
"number_observations_unique": 4182,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.772
},
{
"type": "R(meas)",
"value": 0.832
},
{
"type": "R(pim)",
"value": 0.309
},
{
"type": "I/SigI",
"value": 2.6
},
{
"type": "Redundancy",
"value": 7.1
},
{
"type": "CC(1/2)",
"value": 0.821
}
]
}
]
}