Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c5b2765ba81e712aa6a700f971148563",
"space_group_name": "P 1",
"unit_cell": {
"a": 72.900,
"b": 79.480,
"c": 85.317,
"alpha": 65.83,
"beta": 75.16,
"gamma": 75.79
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.055,1.975],
"number_observations_unique": 76533,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 11.0
},
{
"type": "Completeness",
"value": 87.6
},
{
"type": "Redundancy",
"value": 3.5
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [57.055,5.361],
"number_observations_unique": 5808,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 32.6
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 3.5
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.010,1.975],
"number_observations_unique": 192,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.706
},
{
"type": "R(meas)",
"value": 0.993
},
{
"type": "R(pim)",
"value": 0.697
},
{
"type": "I/SigI",
"value": 1.1
},
{
"type": "Completeness",
"value": 25.9
},
{
"type": "CC(1/2)",
"value": 0.234
}
]
}
]
}