Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5a308c2633dc54b6e8ebf6bd2a761458",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.834,
"b": 57.948,
"c": 114.746,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.4400,1.540],
"number_observations": 329870,
"number_observations_unique": 52010,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 10.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.580,1.540],
"number_observations": 24904,
"number_observations_unique": 3790,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.278
},
{
"type": "R(meas)",
"value": 1.387
},
{
"type": "R(pim)",
"value": 0.536
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.743
}
]
},
{
"resolution_limits": [57.940,6.890],
"number_observations": 4209,
"number_observations_unique": 692,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 36.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}