Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "211136ae04fc7c720e265e72db3499d4",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 64.133,
"b": 81.090,
"c": 96.301,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97648],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.63,1.91],
"number_observations_unique": 39458,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 12.6
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 7.7
},
{
"type": "CC(1/2)",
"value": 1.00
}
]
},
"refln_shells": [
{
"resolution_limits": [2.01,1.91],
"number_observations_unique": 5381,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.033
},
{
"type": "R(pim)",
"value": 0.278
},
{
"type": "I/SigI",
"value": 2.3
},
{
"type": "CC(1/2)",
"value": 0.95
}
]
}
]
}