Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a8a5729c3e16842ba698b7d2d7e1d234",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 73.126,
"b": 39.490,
"c": 113.212,
"alpha": 90.00,
"beta": 106.91,
"gamma": 90.00
},
"wavelengths": [0.96600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.16,2.06],
"number_observations_unique": 38740,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 6.2
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 2.9
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
"refln_shells": [
{
"resolution_limits": [2.11,2.06],
"number_observations_unique": 2830,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.393
},
{
"type": "R(pim)",
"value": 0.465
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 3.0
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
}
]
}