Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e70e5b620bbe1f8c0bdfb7bda96858fb",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 87.93,
"b": 170.55,
"c": 125.67,
"alpha": 90.0,
"beta": 103.3,
"gamma": 90.0
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.990,2.950],
"number_observations": 256079,
"number_observations_unique": 75363,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 10.600
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [3.010,2.950],
"number_observations": 15449,
"number_observations_unique": 4470,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.975
},
{
"type": "R(pim)",
"value": 0.613
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.707
}
]
},
{
"resolution_limits": [19.990,14.750],
"number_observations": 1342,
"number_observations_unique": 373,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 40.500
},
{
"type": "Completeness",
"value": 59.600
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}