Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "97ba64aa32ef78184886a74b9ee86dcb",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 45.429,
"b": 50.443,
"c": 64.742,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [22.051,1.846],
"number_observations_unique": 11611,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 4.54
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 11.9
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.92,1.85],
"number_observations_unique": 1238,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.642
},
{
"type": "R(meas)",
"value": 0.677
},
{
"type": "Completeness",
"value": 94.6
},
{
"type": "Redundancy",
"value": 9.3
},
{
"type": "CC(1/2)",
"value": 0.917
}
]
}
]
}