Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "08b29d2bb29edbe3af5417066168f959",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 114.410,
"b": 53.825,
"c": 44.640,
"alpha": 90.000,
"beta": 100.805,
"gamma": 90.000
},
"wavelengths": [0.98011],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.592,1.696],
"number_observations_unique": 29572,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 12.6
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 6.2
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [48.54,8.97],
"number_observations_unique": 215,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "Redundancy",
"value": 5.7
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [1.73,1.70],
"number_observations_unique": 1510,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.111
},
{
"type": "R(meas)",
"value": 1.354
},
{
"type": "R(pim)",
"value": 0.762
},
{
"type": "Redundancy",
"value": 5.7
},
{
"type": "CC(1/2)",
"value": 0.540
}
]
}
]
}