Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "370d9a43a72547545a4f601f81dbbd19",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 93.214,
"b": 42.260,
"c": 53.026,
"alpha": 90.000,
"beta": 91.084,
"gamma": 90.000
},
"wavelengths": [1.37471],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [51.47,1.30],
"number_observations_unique": 61289,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 16.5
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.9
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [51.47,7.12],
"number_observations_unique": 432,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 44.2
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 10.1
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [1.32,1.30],
"number_observations_unique": 3001,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.232
},
{
"type": "R(meas)",
"value": 2.420
},
{
"type": "R(pim)",
"value": 0.931
},
{
"type": "I/SigI",
"value": 1.2
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.1
},
{
"type": "CC(1/2)",
"value": 0.486
}
]
}
]
}