Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c91fe4b6441f18388e9e23db8f947b57",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 37.795,
"b": 54.133,
"c": 98.813,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.13,1.55],
"number_observations": 171070,
"number_observations_unique": 27808,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 16.6
},
{
"type": "Completeness",
"value": 92.1
},
{
"type": "Redundancy",
"value": 6.2
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.58,1.55],
"number_observations": 1371,
"number_observations_unique": 636,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.416
},
{
"type": "R(meas)",
"value": 0.519
},
{
"type": "R(pim)",
"value": 0.304
},
{
"type": "I/SigI",
"value": 1.3
},
{
"type": "Redundancy",
"value": 2.2
},
{
"type": "CC(1/2)",
"value": 0.758
}
]
}
]
}