Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c5a13b5374e395f4996dfb1aa568362f",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 62.952,
"b": 85.953,
"c": 98.216,
"alpha": 90.00,
"beta": 93.56,
"gamma": 90.00
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [85.95,1.40],
"number_observations": 1375192,
"number_observations_unique": 203540,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 20.6
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.42,1.40],
"number_observations": 45920,
"number_observations_unique": 8909,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.660
},
{
"type": "R(meas)",
"value": 0.736
},
{
"type": "R(pim)",
"value": 0.316
},
{
"type": "I/SigI",
"value": 1.1
},
{
"type": "Redundancy",
"value": 5.2
},
{
"type": "CC(1/2)",
"value": 0.820
}
]
}
]
}