Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "57c0ac269ef7de6ae87d99c96a8d6ef6",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 71.441,
"b": 71.441,
"c": 138.049,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91842],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.07,1.90],
"number_observations_unique": 32456,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 17.5
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 11.1
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [46.07,9.11],
"number_observations_unique": 23265,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "Redundancy",
"value": 8.2
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [1.94,1.90],
"number_observations_unique": 2909,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.834
},
{
"type": "R(meas)",
"value": 0.913
},
{
"type": "R(pim)",
"value": 0.370
},
{
"type": "Redundancy",
"value": 11.5
},
{
"type": "CC(1/2)",
"value": 0.853
}
]
}
]
}