Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1e28d39f8f323ca879aa7c54a6f72b2d",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 113.027,
"b": 53.416,
"c": 44.708,
"alpha": 90.000,
"beta": 103.102,
"gamma": 90.000
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.06,1.63],
"number_observations_unique": 31743,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 7.6
},
{
"type": "Completeness",
"value": 97.6
},
{
"type": "Redundancy",
"value": 3.8
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.66,1.63],
"number_observations_unique": 1573,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.883
},
{
"type": "R(meas)",
"value": 2.216
},
{
"type": "R(pim)",
"value": 1.148
},
{
"type": "I/SigI",
"value": 0.7
},
{
"type": "Completeness",
"value": 96.6
},
{
"type": "Redundancy",
"value": 3.5
},
{
"type": "CC(1/2)",
"value": 0.425
}
]
}
]
}