Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "f45443050ef20f55682253d400d43809",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 37.680,
"b": 93.911,
"c": 53.335,
"alpha": 90.000,
"beta": 110.167,
"gamma": 90.000
},
"wavelengths": [0.95374],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.25,1.42],
"number_observations_unique": 65164,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 18.2
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.45,1.42],
"number_observations_unique": 3204,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.648
},
{
"type": "R(pim)",
"value": 0.278
},
{
"type": "I/SigI",
"value": 2.6
},
{
"type": "Completeness",
"value": 98.0
},
{
"type": "Redundancy",
"value": 6.3
},
{
"type": "CC(1/2)",
"value": 0.789
}
]
}
]
}