Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "122244c7490b1cf1bdef2e58078317c2",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 72.527,
"b": 61.648,
"c": 32.640,
"alpha": 90.0,
"beta": 93.0,
"gamma": 90.0
},
"wavelengths": [0.92202],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.95,1.72],
"number_observations": 106233,
"number_observations_unique": 15305,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.265
},
{
"type": "R(meas)",
"value": 0.287
},
{
"type": "R(pim)",
"value": 0.109
},
{
"type": "I/SigI",
"value": 4.9
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
"refln_shells": [
{
"resolution_limits": [1.75,1.72],
"number_observations": 5446,
"number_observations_unique": 791,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.480
},
{
"type": "R(meas)",
"value": 2.685
},
{
"type": "R(pim)",
"value": 1.018
},
{
"type": "I/SigI",
"value": 0.5
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.298
}
]
}
]
}