Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "604452a0a8d5c8634c9e41c6532bcf19",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 79.599,
"b": 79.599,
"c": 137.348,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [68.93,1.49],
"number_observations_unique": 42789,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 19.0
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 18.8
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [68.93,8.16],
"number_observations_unique": 340,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "Redundancy",
"value": 16.7
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [1.52,1.49],
"number_observations_unique": 2084,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.505
},
{
"type": "R(meas)",
"value": 2.815
},
{
"type": "R(pim)",
"value": 1.247
},
{
"type": "Redundancy",
"value": 8.4
},
{
"type": "CC(1/2)",
"value": 0.546
}
]
}
]
}