Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bbdb3ca0a37803c714435a17fbab7caf",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 48.835,
"b": 48.835,
"c": 197.830,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.46,1.65],
"number_observations_unique": 34210,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 19.2
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 11.8
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [49.46,9.04],
"number_observations_unique": 277,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 57.9
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 9.3
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [1.68,1.65],
"number_observations_unique": 1687,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.403
},
{
"type": "R(meas)",
"value": 1.526
},
{
"type": "R(pim)",
"value": 0.599
},
{
"type": "I/SigI",
"value": 1.8
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.3
},
{
"type": "CC(1/2)",
"value": 0.723
}
]
}
]
}