Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cd541e409270048f60934db27dcda01e",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 64.875,
"b": 119.306,
"c": 66.230,
"alpha": 90.00,
"beta": 92.61,
"gamma": 90.00
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.830,2.300],
"number_observations": 80135,
"number_observations_unique": 21706,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 8.700
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.380,2.300],
"number_observations": 6859,
"number_observations_unique": 1972,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.658
},
{
"type": "R(pim)",
"value": 0.410
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 89.200
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.681
}
]
},
{
"resolution_limits": [29.830,8.910],
"number_observations": 1223,
"number_observations_unique": 384,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 25.800
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}