Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "07a496ab1f7eae2993076beee031f022",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 60.246,
"b": 60.246,
"c": 96.317,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.82647],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [52.1750,1.190],
"number_observations_unique": 65444,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 16.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 19.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.210,1.190],
"number_observations": 46613,
"number_observations_unique": 3121,
"quality_factors": [
{
"type": "R(merge)",
"value": 5.329
},
{
"type": "R(meas)",
"value": 5.515
},
{
"type": "R(pim)",
"value": 1.375
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 14.900
},
{
"type": "CC(1/2)",
"value": 0.229
}
]
},
{
"resolution_limits": [52.170,6.520],
"number_observations": 8891,
"number_observations_unique": 480,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 90.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}