Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0b5e1f93be5289076c84df10b0cd7c81",
"space_group_name": "P 1",
"unit_cell": {
"a": 64.749,
"b": 70.058,
"c": 88.162,
"alpha": 111.32,
"beta": 107.59,
"gamma": 97.67
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [32.0,1.95],
"number_observations_unique": 93150,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 11.7
},
{
"type": "Completeness",
"value": 96.6
},
{
"type": "Redundancy",
"value": 1.9
}
]
},
"refln_shells": [
{
"resolution_limits": [1.98,1.95],
"number_observations_unique": 4384,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.424
},
{
"type": "R(meas)",
"value": 0.599
},
{
"type": "R(pim)",
"value": 0.424
},
{
"type": "I/SigI",
"value": 1.7
},
{
"type": "Completeness",
"value": 91.5
},
{
"type": "Redundancy",
"value": 1.8
},
{
"type": "CC(1/2)",
"value": 0.622
}
]
}
]
}