Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ff516720ae75f6f5bd2adef6d515fc5a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.005,
"b": 41.477,
"c": 72.303,
"alpha": 90.00,
"beta": 104.36,
"gamma": 90.00
},
"wavelengths": [0.97934],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30,1.45],
"number_observations_unique": 41806,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 26.0
},
{
"type": "Completeness",
"value": 97.2
},
{
"type": "Redundancy",
"value": 7.1
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.48,1.45],
"number_observations_unique": 2031,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.475
},
{
"type": "R(meas)",
"value": 0.537
},
{
"type": "R(pim)",
"value": 0.246
},
{
"type": "I/SigI",
"value": 2.6
},
{
"type": "Completeness",
"value": 94.6
},
{
"type": "Redundancy",
"value": 4.3
},
{
"type": "CC(1/2)",
"value": 0.826
}
]
}
]
}