Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "86dea1eabf90bf8d8b39e250a7dee1fc",
"space_group_name": "P 1",
"unit_cell": {
"a": 49.54,
"b": 60.03,
"c": 79.99,
"alpha": 79.25,
"beta": 81.06,
"gamma": 75.33
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.380,1.620],
"number_observations": 188829,
"number_observations_unique": 106603,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [1.660,1.620],
"number_observations": 12106,
"number_observations_unique": 7744,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.666
},
{
"type": "R(meas)",
"value": 0.941
},
{
"type": "R(pim)",
"value": 0.665
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 1.600
},
{
"type": "CC(1/2)",
"value": 0.632
}
]
},
{
"resolution_limits": [57.380,7.240],
"number_observations": 2261,
"number_observations_unique": 1213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 23.600
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
}
]
}