Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1bfaf088a492fe9ba3b98f841a190960",
"space_group_name": "P 31 1 2",
"unit_cell": {
"a": 83.322,
"b": 83.322,
"c": 211.212,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97662],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.613,2.40],
"number_observations_unique": 33184,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 16.5
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 10.2
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.53,2.40],
"number_observations_unique": 4821,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.177
},
{
"type": "R(meas)",
"value": 1.236
},
{
"type": "R(pim)",
"value": 0.375
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 10.8
},
{
"type": "CC(1/2)",
"value": 0.634
}
]
}
]
}