Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "609f4e83b08c6639f5879619a20b0bc5",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 123.392,
"b": 123.392,
"c": 96.530,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97630,1.28240],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.26,2.598],
"number_observations_unique": 26494,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 14.4
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 8.5
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [48.26,9.00],
"number_observations_unique": 694,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "Redundancy",
"value": 7.8
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [2.71,2.60],
"number_observations_unique": 3143,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.086
},
{
"type": "R(meas)",
"value": 4.649
},
{
"type": "R(pim)",
"value": 2.198
},
{
"type": "Redundancy",
"value": 8.4
},
{
"type": "CC(1/2)",
"value": 0.368
}
]
}
]
}