Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7c33eba34e858ec686cee3b22e7c67fd",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 86.49,
"b": 57.13,
"c": 64.74,
"alpha": 90.0,
"beta": 94.7,
"gamma": 90.0
},
"wavelengths": [0.92203],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.10,1.15],
"number_observations": 443477,
"number_observations_unique": 80682,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 16.7
},
{
"type": "Completeness",
"value": 72.6
},
{
"type": "Redundancy",
"value": 5.5
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.18,1.15],
"number_observations": 622,
"number_observations_unique": 604,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.638
},
{
"type": "R(meas)",
"value": 0.938
},
{
"type": "R(pim)",
"value": 0.632
},
{
"type": "I/SigI",
"value": 0.5
},
{
"type": "Redundancy",
"value": 1.0
},
{
"type": "CC(1/2)",
"value": 0.657
}
]
}
]
}