Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "22eac3f5da3c83017c4b2b3e10fb0a13",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 100.35,
"b": 32.64,
"c": 72.61,
"alpha": 90.00,
"beta": 90.65,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.57,1.49],
"number_observations_unique": 38224,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 20.5
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 5.4
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.55,1.49],
"number_observations_unique": 3454,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.410
},
{
"type": "R(meas)",
"value": 0.466
},
{
"type": "R(pim)",
"value": 0.217
},
{
"type": "I/SigI",
"value": 3.2
},
{
"type": "Completeness",
"value": 89.8
},
{
"type": "Redundancy",
"value": 4.3
},
{
"type": "CC(1/2)",
"value": 0.857
}
]
}
]
}