Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1f7f2343aa80cd357677e452ddc9ba75",
"space_group_name": "P 1",
"unit_cell": {
"a": 48.684,
"b": 59.551,
"c": 79.794,
"alpha": 79.84,
"beta": 82.09,
"gamma": 76.39
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [78.140,1.610],
"number_observations": 182950,
"number_observations_unique": 105949,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 7.800
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.650,1.610],
"number_observations": 11526,
"number_observations_unique": 7636,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.593
},
{
"type": "R(meas)",
"value": 0.839
},
{
"type": "R(pim)",
"value": 0.593
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 1.500
},
{
"type": "CC(1/2)",
"value": 0.620
}
]
},
{
"resolution_limits": [78.140,7.200],
"number_observations": 2189,
"number_observations_unique": 1208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 17.500
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}