Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "df5b16df81627af87d521e0370e49dea",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 31.40,
"b": 31.40,
"c": 149.53,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97950,0.97970,0.96110],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.900,2.030],
"number_observations": 41538,
"number_observations_unique": 6064,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 14.000
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.090,2.030],
"number_observations": 3510,
"number_observations_unique": 481,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.758
},
{
"type": "R(pim)",
"value": 0.298
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.856
}
]
},
{
"resolution_limits": [29.900,8.850],
"number_observations": 477,
"number_observations_unique": 100,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 25.900
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}