Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4abc57b6303f284dca53adee4935c93e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 80.343,
"b": 112.813,
"c": 139.083,
"alpha": 90.00,
"beta": 104.74,
"gamma": 90.00
},
"wavelengths": [0.97926],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.69,2.38],
"number_observations_unique": 96053,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 11.8
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 6.7
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.42,2.38],
"number_observations_unique": 4777,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.678
},
{
"type": "R(meas)",
"value": 0.731
},
{
"type": "R(pim)",
"value": 0.272
},
{
"type": "I/SigI",
"value": 3.5
},
{
"type": "CC(1/2)",
"value": 0.876
}
]
}
]
}