Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "88e600d92fb403c358dd7416be80b823",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 81.219,
"b": 64.049,
"c": 83.535,
"alpha": 90.00,
"beta": 111.99,
"gamma": 90.00
},
"wavelengths": [0.97949],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [68.26,1.49],
"number_observations_unique": 62615,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 10.4
},
{
"type": "Completeness",
"value": 96.7
},
{
"type": "Redundancy",
"value": 5.2
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.52,1.49],
"number_observations_unique": 3027,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.845
},
{
"type": "I/SigI",
"value": 1.5
},
{
"type": "Completeness",
"value": 94.5
},
{
"type": "Redundancy",
"value": 5.3
},
{
"type": "CC(1/2)",
"value": 0.549
}
]
}
]
}