Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "a84de5521b38a79b0df307a4c4bd18f8",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 40.78,
"b": 66.48,
"c": 97.50,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.31,1.45],
"number_observations_unique": 46347,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 13.63
},
{
"type": "Completeness",
"value": 96.9
},
{
"type": "Redundancy",
"value": 12.59
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.54,1.45],
"number_observations_unique": 6246,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.155
},
{
"type": "R(meas)",
"value": 2.288
},
{
"type": "I/SigI",
"value": 0.72
},
{
"type": "Completeness",
"value": 82.3
},
{
"type": "Redundancy",
"value": 8.69
},
{
"type": "CC(1/2)",
"value": 0.363
}
]
}
]
}