Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "56e387be732c09c6de84ce71d6dd20cf",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 114.539,
"b": 53.602,
"c": 44.570,
"alpha": 90.000,
"beta": 100.503,
"gamma": 90.000
},
"wavelengths": [0.97600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.40,1.60],
"number_observations_unique": 34900,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 15.0
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 6.6
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.63,1.60],
"number_observations_unique": 1587,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.420
},
{
"type": "R(meas)",
"value": 0.534
},
{
"type": "R(pim)",
"value": 0.324
},
{
"type": "I/SigI",
"value": 3.2
},
{
"type": "Completeness",
"value": 92.5
},
{
"type": "Redundancy",
"value": 4.9
},
{
"type": "CC(1/2)",
"value": 0.931
}
]
}
]
}