Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "237223a947836738ce9b86d73923f214",
"space_group_name": "P 1",
"unit_cell": {
"a": 38.548,
"b": 38.659,
"c": 44.049,
"alpha": 90.480,
"beta": 90.591,
"gamma": 94.481
},
"wavelengths": [0.96884],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.54,1.80],
"number_observations_unique": 22802,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "R(meas)",
"value": 0.286
},
{
"type": "R(pim)",
"value": 0.202
},
{
"type": "I/SigI",
"value": 3.4
},
{
"type": "Completeness",
"value": 96.8
},
{
"type": "Redundancy",
"value": 2.3
},
{
"type": "CC(1/2)",
"value": 0.816
}
]
},
"refln_shells": [
{
"resolution_limits": [38.54,9.00],
"number_observations_unique": 435,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.150
},
{
"type": "R(pim)",
"value": 0.106
},
{
"type": "Redundancy",
"value": 2.3
},
{
"type": "CC(1/2)",
"value": 0.816
}
]
},
{
"resolution_limits": [1.84,1.80],
"number_observations_unique": 1417,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.765
},
{
"type": "R(meas)",
"value": 1.082
},
{
"type": "R(pim)",
"value": 0.765
},
{
"type": "Redundancy",
"value": 2.2
},
{
"type": "CC(1/2)",
"value": 0.562
}
]
}
]
}