Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3f6a2f905c3be9062ac85f169782f930",
"space_group_name": "P 4 21 2",
"unit_cell": {
"a": 54.428,
"b": 54.428,
"c": 48.753,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.87313],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.52,2.35],
"number_observations_unique": 3356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.292
},
{
"type": "R(meas)",
"value": 0.303
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 12.6
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 14.6
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.43,2.35],
"number_observations": 5094,
"number_observations_unique": 326,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.069
},
{
"type": "R(meas)",
"value": 1.106
},
{
"type": "R(pim)",
"value": 0.277
},
{
"type": "I/SigI",
"value": 5.1
},
{
"type": "Redundancy",
"value": 15.6
},
{
"type": "CC(1/2)",
"value": 0.864
}
]
}
]
}