Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c9c4ebd48c444ceee4e0cc81ab0e29ed",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 46.158,
"b": 46.158,
"c": 41.936,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97926],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.94,1.30],
"number_observations_unique": 12340,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 30.3
},
{
"type": "Completeness",
"value": 94.5
},
{
"type": "Redundancy",
"value": 18.5
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [41.94,7.12],
"number_observations_unique": 12340,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "Redundancy",
"value": 14.7
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [1.32,1.30],
"number_observations_unique": 603,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.651
},
{
"type": "R(meas)",
"value": 0.702
},
{
"type": "R(pim)",
"value": 0.256
},
{
"type": "Redundancy",
"value": 14.0
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
}
]
}