Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "514b862eb01feb6e7456baca496b61d9",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 74.42,
"b": 80.41,
"c": 89.05,
"alpha": 90.0,
"beta": 102.1,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.540,1.930],
"number_observations": 232326,
"number_observations_unique": 38318,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 18.200
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.970,1.930],
"number_observations": 12142,
"number_observations_unique": 2221,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.362
},
{
"type": "R(meas)",
"value": 0.399
},
{
"type": "R(pim)",
"value": 0.166
},
{
"type": "I/SigI",
"value": 4.800
},
{
"type": "Completeness",
"value": 80.600
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.889
}
]
},
{
"resolution_limits": [43.540,8.830],
"number_observations": 2527,
"number_observations_unique": 426,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 43.400
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}