Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4577272414b8363d95e663ca86a1f3d7",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.822,
"b": 163.951,
"c": 110.656,
"alpha": 90.0,
"beta": 97.7,
"gamma": 90.0
},
"wavelengths": [0.97718],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.920,2.1950],
"number_observations_unique": 74270,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.219
},
{
"type": "R(meas)",
"value": 0.242
},
{
"type": "R(pim)",
"value": 0.101
},
{
"type": "I/SigI",
"value": 6.700
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
"refln_shells": [
{
"resolution_limits": [2.240,2.200],
"quality_factors": [
{
"type": "R(merge)",
"value": 1.388
},
{
"type": "R(meas)",
"value": 1.580
},
{
"type": "R(pim)",
"value": 0.737
},
{
"type": "Completeness",
"value": 68.100
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.263
}
]
},
{
"resolution_limits": [48.920,10.750],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}