Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "15827ceed83b725230c1034e063261fa",
"space_group_name": "H 3 2",
"unit_cell": {
"a": 173.877,
"b": 173.877,
"c": 71.906,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [52.000,2.1860],
"number_observations_unique": 21590,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 27.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.300,2.190],
"number_observations": 28703,
"number_observations_unique": 3120,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.840
},
{
"type": "R(meas)",
"value": 0.890
},
{
"type": "R(pim)",
"value": 0.293
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.200
},
{
"type": "CC(1/2)",
"value": 0.905
}
]
},
{
"resolution_limits": [52.000,6.910],
"number_observations": 6049,
"number_observations_unique": 728,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.018
},
{
"type": "R(pim)",
"value": 0.006
},
{
"type": "I/SigI",
"value": 105.600
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 8.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}