Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "3e8c0c972af31a931ea27c5dcbdbc4de",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.245,
"b": 41.331,
"c": 72.146,
"alpha": 90.00,
"beta": 104.05,
"gamma": 90.00
},
"wavelengths": [0.97934],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30,1.20],
"number_observations_unique": 73720,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 24.9
},
{
"type": "Completeness",
"value": 97.3
},
{
"type": "Redundancy",
"value": 7.5
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.22,1.20],
"number_observations_unique": 3581,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.725
},
{
"type": "R(meas)",
"value": 0.779
},
{
"type": "R(pim)",
"value": 0.283
},
{
"type": "I/SigI",
"value": 3.5
},
{
"type": "Completeness",
"value": 94.8
},
{
"type": "Redundancy",
"value": 7.4
},
{
"type": "CC(1/2)",
"value": 0.835
}
]
}
]
}