Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a8036e09560034c1ddb9d1505e8905ee",
"space_group_name": "P 1",
"unit_cell": {
"a": 25.401,
"b": 38.318,
"c": 97.542,
"alpha": 97.71,
"beta": 94.71,
"gamma": 101.50
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.100,2.195],
"number_observations_unique": 6580,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 8.0
},
{
"type": "Completeness",
"value": 78.0
},
{
"type": "Redundancy",
"value": 3.3
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.546,2.195],
"number_observations_unique": 329,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.515
},
{
"type": "R(pim)",
"value": 0.367
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 51.3
},
{
"type": "Redundancy",
"value": 2.6
},
{
"type": "CC(1/2)",
"value": 0.835
}
]
}
]
}