Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7d557e31b9d6e7b8cf75fd9d52e3eff7",
"space_group_name": "P 21 3",
"unit_cell": {
"a": 78.56,
"b": 78.56,
"c": 78.56,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.398,1.71],
"number_observations_unique": 17775,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 18.8
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 18.3
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [45.36,9.05],
"number_observations_unique": 2123,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "Redundancy",
"value": 14.3
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [1.74,1.71],
"number_observations_unique": 17213,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.227
},
{
"type": "R(meas)",
"value": 2.356
},
{
"type": "R(pim)",
"value": 0.760
},
{
"type": "Redundancy",
"value": 18.3
},
{
"type": "CC(1/2)",
"value": 0.548
}
]
}
]
}