Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4fe614459ccf044ea3d7e0ec261f251c",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 98.456,
"b": 72.425,
"c": 65.505,
"alpha": 90.00,
"beta": 109.56,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.02,1.42],
"number_observations": 549105,
"number_observations_unique": 80390,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 9.7
},
{
"type": "Completeness",
"value": 97.8
},
{
"type": "Redundancy",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.44,1.42],
"number_observations": 20050,
"number_observations_unique": 3264,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.725
},
{
"type": "R(meas)",
"value": 0.789
},
{
"type": "R(pim)",
"value": 0.306
},
{
"type": "I/SigI",
"value": 1.2
},
{
"type": "Redundancy",
"value": 6.1
},
{
"type": "CC(1/2)",
"value": 0.891
}
]
}
]
}