Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "bbc4bbf7193d3b1e3fec8b766dd3a6f7",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 48.845,
"b": 48.845,
"c": 194.586,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.65,2.26],
"number_observations_unique": 13352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(meas)",
"value": 0.158
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 10.1
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 10.2
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [48.65,9.06],
"number_observations_unique": 271,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 20.8
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 7.2
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.34,2.26],
"number_observations_unique": 1199,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.608
},
{
"type": "R(meas)",
"value": 1.771
},
{
"type": "R(pim)",
"value": 0.735
},
{
"type": "I/SigI",
"value": 1.8
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 10.8
},
{
"type": "CC(1/2)",
"value": 0.621
}
]
}
]
}