Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "68bc18da96bfe190a913b7f2ef3229cd",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 48.716,
"b": 80.120,
"c": 66.895,
"alpha": 90.000,
"beta": 91.072,
"gamma": 90.000
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.755,1.697],
"number_observations_unique": 56711,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 13.2
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 6.7
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [48.71,8.98],
"number_observations_unique": 406,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "Redundancy",
"value": 5.4
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [1.73,1.70],
"number_observations_unique": 2895,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.007
},
{
"type": "R(meas)",
"value": 1.193
},
{
"type": "R(pim)",
"value": 0.634
},
{
"type": "Redundancy",
"value": 6.5
},
{
"type": "CC(1/2)",
"value": 0.711
}
]
}
]
}