Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9a38dc7af46b632e3b5c1cfe5237fbf5",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.671,
"b": 41.842,
"c": 72.836,
"alpha": 90.000,
"beta": 104.681,
"gamma": 90.000
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.842,1.23],
"number_observations_unique": 69652,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 17.66
},
{
"type": "Completeness",
"value": 97.2
},
{
"type": "Redundancy",
"value": 3.72
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.31,1.23],
"number_observations_unique": 10672,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "I/SigI",
"value": 8.20
},
{
"type": "Completeness",
"value": 92.7
},
{
"type": "Redundancy",
"value": 3.75
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
}
]
}