Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "114eb3779d6d9503eee5ffe596c9a8b1",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 72.556,
"b": 80.997,
"c": 97.808,
"alpha": 90.00,
"beta": 108.24,
"gamma": 90.00
},
"wavelengths": [1.00001],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.55,2.05],
"number_observations_unique": 65248,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 6.2
},
{
"type": "Completeness",
"value": 96.7
},
{
"type": "Redundancy",
"value": 2.9
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.16,2.05],
"number_observations_unique": 9601,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.717
},
{
"type": "R(pim)",
"value": 0.498
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "Completeness",
"value": 98.0
},
{
"type": "Redundancy",
"value": 2.9
},
{
"type": "CC(1/2)",
"value": 0.60
}
]
}
]
}