Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4a6584ab1400a9dd59bee1675f627e9b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 36.56,
"b": 51.34,
"c": 54.88,
"alpha": 90.00,
"beta": 104.67,
"gamma": 90.00
},
"wavelengths": [1.54179],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.13,1.63],
"number_observations_unique": 24686,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 12.7
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 4.7
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.66,1.63],
"number_observations_unique": 1270,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.520
},
{
"type": "R(meas)",
"value": 0.672
},
{
"type": "R(pim)",
"value": 0.420
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 4.5
},
{
"type": "CC(1/2)",
"value": 0.684
}
]
}
]
}