Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a1852a7979d6da4c8ef8ab1b93167325",
"space_group_name": "H 3",
"unit_cell": {
"a": 79.476,
"b": 79.476,
"c": 72.033,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.82656],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.93,0.920],
"number_observations_unique": 112975,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 14.1
},
{
"type": "Completeness",
"value": 96.7
},
{
"type": "Redundancy",
"value": 3.2
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [0.939,0.923],
"number_observations_unique": 5054,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.331
},
{
"type": "R(meas)",
"value": 0.426
},
{
"type": "R(pim)",
"value": 0.265
},
{
"type": "I/SigI",
"value": 2.6
},
{
"type": "Completeness",
"value": 85.9
},
{
"type": "Redundancy",
"value": 2.2
},
{
"type": "CC(1/2)",
"value": 0.762
}
]
},
{
"resolution_limits": [31.911,2.504],
"number_observations_unique": 5387,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 29.6
},
{
"type": "Completeness",
"value": 92.1
},
{
"type": "Redundancy",
"value": 3.2
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}