Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4532f0a9e7636725de936a39c9cfbb56",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 60.83,
"b": 67.10,
"c": 69.04,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [2.80000,4.60000,1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [17.48,2.2],
"number_observations_unique": 11267,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 4.7
},
{
"type": "Completeness",
"value": 79.3
},
{
"type": "Redundancy",
"value": 5.5
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.32,2.2],
"number_observations_unique": 1327,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "R(meas)",
"value": 0.191
},
{
"type": "R(pim)",
"value": 0.201
},
{
"type": "Completeness",
"value": 65.6
},
{
"type": "Redundancy",
"value": 2.2
},
{
"type": "CC(1/2)",
"value": 0.938
}
]
},
{
"resolution_limits": [2.02,1.95],
"number_observations_unique": 2077,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.135
},
{
"type": "Completeness",
"value": 98.4
},
{
"type": "Redundancy",
"value": 1.9
}
]
}
]
}