Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cdfe7ea581861959e0c65ec93a75171e",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 79.435,
"b": 79.435,
"c": 137.648,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [61.54,1.50],
"number_observations_unique": 41568,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 11.9
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 20.9
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [61.54,8.22],
"number_observations_unique": 339,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "Redundancy",
"value": 16.8
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [1.53,1.50],
"number_observations_unique": 1930,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.977
},
{
"type": "R(meas)",
"value": 3.163
},
{
"type": "R(pim)",
"value": 1.048
},
{
"type": "Redundancy",
"value": 16.8
},
{
"type": "CC(1/2)",
"value": 0.405
}
]
}
]
}