Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "049e2f24daf7af83d2d6eafcbcdf8b41",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 54.875,
"b": 58.472,
"c": 67.458,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54179,2.66700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.184,1.441],
"number_observations_unique": 38793,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 27.01
},
{
"type": "Completeness",
"value": 97.3
},
{
"type": "Redundancy",
"value": 7.361
}
]
},
"refln_shells": [
{
"resolution_limits": [1.53,1.441],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.229
},
{
"type": "I/SigI",
"value": 9.86
},
{
"type": "Completeness",
"value": 84.6
},
{
"type": "Redundancy",
"value": 6.025
}
]
},
{
"resolution_limits": [1.45,1.43],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.387
},
{
"type": "I/SigI",
"value": 1.858
},
{
"type": "Completeness",
"value": 82.1
},
{
"type": "Redundancy",
"value": 1.6
}
]
}
]
}