Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "c3a45ee0f7e2e1cf13c227ea7f755dc8",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 48.633,
"b": 114.795,
"c": 164.789,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.35,1.958],
"number_observations_unique": 33737,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "R(meas)",
"value": 0.131
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 9.1
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 11.7
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.00,1.96],
"number_observations": 14513,
"number_observations_unique": 2219,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.312
},
{
"type": "R(meas)",
"value": 4.672
},
{
"type": "R(pim)",
"value": 1.769
},
{
"type": "I/SigI",
"value": 0.5
},
{
"type": "Redundancy",
"value": 6.5
},
{
"type": "CC(1/2)",
"value": 0.584
}
]
}
]
}