Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b42e83e7ae3d0952a1fd53672edb9a0d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.883,
"b": 53.858,
"c": 115.296,
"alpha": 90.000,
"beta": 100.269,
"gamma": 90.000
},
"wavelengths": [0.97860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.088,2.05],
"number_observations_unique": 33779,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 11.2
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 7.1
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [39.06,8.94],
"number_observations_unique": 427,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.11,2.05],
"number_observations_unique": 2568,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.226
},
{
"type": "R(meas)",
"value": 1.433
},
{
"type": "R(pim)",
"value": 0.738
},
{
"type": "Redundancy",
"value": 7.3
},
{
"type": "CC(1/2)",
"value": 0.716
}
]
}
]
}