Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8c1ccf81c683252dcaf73161b88ffd67",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 46.484,
"b": 35.997,
"c": 64.495,
"alpha": 90.00,
"beta": 107.61,
"gamma": 90.00
},
"wavelengths": [0.96600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.307,1.45],
"number_observations_unique": 34661,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 12.1
},
{
"type": "Completeness",
"value": 95.2
},
{
"type": "Redundancy",
"value": 2.45
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.50,1.45],
"number_observations_unique": 3549,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.442
},
{
"type": "R(pim)",
"value": 0.321
},
{
"type": "Completeness",
"value": 97.3
},
{
"type": "Redundancy",
"value": 2.40
},
{
"type": "CC(1/2)",
"value": 0.805
}
]
}
]
}