Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2a4615a86d36c87083212772d01f5acf",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 208.844,
"b": 113.199,
"c": 189.150,
"alpha": 90.00,
"beta": 90.99,
"gamma": 90.00
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [104.406,1.847],
"number_observations": 2101452,
"number_observations_unique": 297993,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 16.1
},
{
"type": "Completeness",
"value": 85.9
},
{
"type": "Redundancy",
"value": 7.1
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.958,1.847],
"number_observations": 105719,
"number_observations_unique": 14900,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.062
},
{
"type": "R(pim)",
"value": 0.425
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Redundancy",
"value": 7.1
},
{
"type": "CC(1/2)",
"value": 0.746
}
]
},
{
"resolution_limits": [104.406,5.451],
"number_observations": 102500,
"number_observations_unique": 14899,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 50.5
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}