Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a197e8bc9d9bba3788efec2593db36d3",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 46.443,
"b": 61.952,
"c": 54.059,
"alpha": 90.000,
"beta": 111.525,
"gamma": 90.000
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.20,1.6],
"number_observations_unique": 37687,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 14.1
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 4.4
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.63,1.60],
"number_observations_unique": 1845,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.44
},
{
"type": "R(meas)",
"value": 0.505
},
{
"type": "R(pim)",
"value": 0.24
},
{
"type": "I/SigI",
"value": 2.6
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 4.1
},
{
"type": "CC(1/2)",
"value": 0.866
}
]
}
]
}