Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "716360e225ee248405af8de11b13dcc3",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 51.500,
"b": 81.330,
"c": 88.864,
"alpha": 90.000,
"beta": 97.314,
"gamma": 90.000
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.19,1.967],
"number_observations_unique": 25783,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.150
},
{
"type": "R(pim)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 5.4
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 3.1
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [29.19,9.01],
"number_observations_unique": 269,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "Redundancy",
"value": 2.6
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.02,1.97],
"number_observations_unique": 1784,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.549
},
{
"type": "R(meas)",
"value": 0.738
},
{
"type": "R(pim)",
"value": 0.490
},
{
"type": "Redundancy",
"value": 2.9
},
{
"type": "CC(1/2)",
"value": 0.768
}
]
}
]
}