Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5d1d24ba110d2579787307a37e9f6b92",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 55.006,
"b": 61.073,
"c": 94.394,
"alpha": 90.00,
"beta": 104.02,
"gamma": 90.00
},
"wavelengths": [1.27820],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.373,2.400],
"number_observations": 80183,
"number_observations_unique": 11734,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 11.700
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.490,2.400],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.829
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.819
}
]
},
{
"resolution_limits": [41.910,8.960],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}