Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "2721e334ba89822b9e2a9f7eb81e275c",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.752,
"b": 88.752,
"c": 39.525,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.77488],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.380,0.950],
"number_observations": 1291534,
"number_observations_unique": 192722,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [0.970,0.950],
"number_observations": 52905,
"number_observations_unique": 9152,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.874
},
{
"type": "R(meas)",
"value": 2.061
},
{
"type": "R(pim)",
"value": 0.842
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.491
}
]
},
{
"resolution_limits": [44.380,5.200],
"number_observations": 8518,
"number_observations_unique": 1267,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 36.400
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}