Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9c58ed7b9e5593e1281c699f454edeaf",
"space_group_name": "P 1",
"unit_cell": {
"a": 47.898,
"b": 47.910,
"c": 62.277,
"alpha": 67.39,
"beta": 67.49,
"gamma": 77.73
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.16,1.45],
"number_observations_unique": 79988,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 10.6
},
{
"type": "Completeness",
"value": 95.9
},
{
"type": "Redundancy",
"value": 3.5
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.47,1.45],
"number_observations_unique": 3511,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.643
},
{
"type": "R(meas)",
"value": 0.783
},
{
"type": "R(pim)",
"value": 0.440
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Completeness",
"value": 86.6
},
{
"type": "Redundancy",
"value": 3.0
},
{
"type": "CC(1/2)",
"value": 0.715
}
]
},
{
"resolution_limits": [44.16,7.94],
"number_observations_unique": 502,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 24.1
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 3.6
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}