Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9bf42b5f8d4cee6cacf3f30a8e7e3795",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.317,
"b": 51.413,
"c": 78.909,
"alpha": 90.00,
"beta": 92.47,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.28,2.10],
"number_observations": 142133,
"number_observations_unique": 20827,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.417
},
{
"type": "R(meas)",
"value": 0.452
},
{
"type": "R(pim)",
"value": 0.172
},
{
"type": "I/SigI",
"value": 3.4
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
"refln_shells": [
{
"resolution_limits": [2.16,2.10],
"number_observations": 10500,
"number_observations_unique": 1594,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.915
},
{
"type": "R(meas)",
"value": 2.076
},
{
"type": "R(pim)",
"value": 0.792
},
{
"type": "I/SigI",
"value": 0.9
},
{
"type": "Redundancy",
"value": 6.6
},
{
"type": "CC(1/2)",
"value": 0.409
}
]
}
]
}