Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c72974be9b4d7adbe62805b282bbbe65",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 39.515,
"b": 67.992,
"c": 40.245,
"alpha": 90.00,
"beta": 93.25,
"gamma": 90.00
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.98,1.25],
"number_observations_unique": 56095,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 48.1
},
{
"type": "Completeness",
"value": 95.3
},
{
"type": "Redundancy",
"value": 6.5
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.27,1.25],
"number_observations_unique": 1932,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.130
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 11.6
},
{
"type": "Completeness",
"value": 66.6
},
{
"type": "Redundancy",
"value": 4.3
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
}
]
}