Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0ab67de612ef65fb1728e6e1f233b703",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.17,
"b": 51.52,
"c": 79.23,
"alpha": 90.0,
"beta": 92.3,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.134,1.73],
"number_observations_unique": 37249,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 13.1
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 7.3
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.76,1.73],
"number_observations": 12999,
"number_observations_unique": 1933,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.875
},
{
"type": "R(meas)",
"value": 0.949
},
{
"type": "R(pim)",
"value": 0.361
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Redundancy",
"value": 6.7
},
{
"type": "CC(1/2)",
"value": 0.700
}
]
}
]
}