Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ebf8cfa77a49437b176bb758a429c20c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.558,
"b": 98.342,
"c": 57.961,
"alpha": 90.0,
"beta": 107.5,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.190,1.450],
"number_observations": 363120,
"number_observations_unique": 104475,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 10.600
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.470,1.450],
"number_observations": 17984,
"number_observations_unique": 5122,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.841
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.646
}
]
},
{
"resolution_limits": [48.190,7.940],
"number_observations": 2335,
"number_observations_unique": 665,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 32.500
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
}
]
}