Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "236cfa6928d3a8b5e955b423a880e9ae",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 79.915,
"b": 89.018,
"c": 91.396,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97872],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [91.400,2.570],
"number_observations": 129087,
"number_observations_unique": 21377,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 24.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.870,2.570],
"number_observations": 36793,
"number_observations_unique": 5979,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.452
},
{
"type": "R(pim)",
"value": 0.194
},
{
"type": "I/SigI",
"value": 4.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.933
}
]
},
{
"resolution_limits": [91.400,5.750],
"number_observations": 11310,
"number_observations_unique": 2048,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 60.500
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}