Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6ae159c44c4881665a4fcb7daa5b2251",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 35.915,
"b": 56.340,
"c": 90.001,
"alpha": 90.00,
"beta": 94.25,
"gamma": 90.00
},
"wavelengths": [1.54180,2.78000,4.50000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [89.75,1.70],
"number_observations_unique": 39602,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(meas)",
"value": 0.12
},
{
"type": "R(pim)",
"value": 0.02
},
{
"type": "I/SigI",
"value": 51.66
},
{
"type": "Completeness",
"value": 99.99
},
{
"type": "Redundancy",
"value": 19.9
},
{
"type": "CC(1/2)",
"value": 0.99
}
]
},
"refln_shells": [
{
"resolution_limits": [1.76,1.70],
"number_observations_unique": 3961,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.378
},
{
"type": "R(meas)",
"value": 0.40
},
{
"type": "R(pim)",
"value": 0.09
},
{
"type": "I/SigI",
"value": 9.85
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "CC(1/2)",
"value": 0.96
}
]
},
{
"resolution_limits": [2.21,2.10],
"number_observations_unique": 1628,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.300
},
{
"type": "R(meas)",
"value": 0.347
},
{
"type": "R(pim)",
"value": 0.168
},
{
"type": "CC(1/2)",
"value": 0.96
}
]
}
]
}