Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "98abd6fb7db1e85eb718bbdf4ce34d18",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 82.058,
"b": 27.731,
"c": 56.361,
"alpha": 90.00,
"beta": 99.93,
"gamma": 90.00
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.770,1.190],
"number_observations": 175568,
"number_observations_unique": 34046,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 21.100
},
{
"type": "Completeness",
"value": 84.000
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
"refln_shells": [
{
"resolution_limits": [1.210,1.190],
"number_observations": 573,
"number_observations_unique": 446,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.306
},
{
"type": "R(meas)",
"value": 0.422
},
{
"type": "R(pim)",
"value": 0.289
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 22.100
},
{
"type": "Redundancy",
"value": 1.300
},
{
"type": "CC(1/2)",
"value": 0.905
}
]
},
{
"resolution_limits": [27.770,6.520],
"number_observations": 1612,
"number_observations_unique": 280,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 60.600
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
}
]
}