Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "325d49b5a3ee47926bb816f0375c0b7d",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 77.198,
"b": 77.198,
"c": 37.958,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [18.720,0.940],
"number_observations_unique": 73762,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 35.800
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 17.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [0.950,0.940],
"number_observations": 19635,
"number_observations_unique": 3051,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.705
},
{
"type": "R(meas)",
"value": 0.768
},
{
"type": "R(pim)",
"value": 0.296
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 83.900
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.889
}
]
},
{
"resolution_limits": [18.720,5.130],
"number_observations": 10549,
"number_observations_unique": 548,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 62.200
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 19.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}