Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dd2ed9ca2927e682bcdcd37868b917c3",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 42.695,
"b": 42.695,
"c": 24.410,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54000,2.80000,4.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40,1.56],
"number_observations_unique": 3414,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 45.8
},
{
"type": "Completeness",
"value": 96.8
},
{
"type": "Redundancy",
"value": 6.7
}
]
},
"refln_shells": [
{
"resolution_limits": [1.62,1.56],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.417
},
{
"type": "I/SigI",
"value": 2.10
},
{
"type": "Completeness",
"value": 76.8
},
{
"type": "Redundancy",
"value": 3.3
}
]
},
{
"resolution_limits": [2.11,2.00],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.289
},
{
"type": "I/SigI",
"value": 3.50
},
{
"type": "Completeness",
"value": 58.1
},
{
"type": "Redundancy",
"value": 2.8
}
]
}
]
}