Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "390ffcfc52379fc2ae678cf8345e9417",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 37.842,
"b": 43.142,
"c": 78.990,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91163],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.49,1.25],
"number_observations_unique": 36606,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 10.6
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.2
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [39.49,6.85],
"number_observations_unique": 281,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "Redundancy",
"value": 10.6
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [1.27,1.25],
"number_observations_unique": 1784,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.293
},
{
"type": "R(meas)",
"value": 4.665
},
{
"type": "R(pim)",
"value": 1.815
},
{
"type": "Redundancy",
"value": 12.5
},
{
"type": "CC(1/2)",
"value": 0.323
}
]
}
]
}