Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e3edc2b15830f0ecbc4f72689b68faf2",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 105.607,
"b": 105.607,
"c": 66.987,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91188],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.77,2.650],
"number_observations_unique": 6800,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 17.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 20.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.780,2.650],
"number_observations": 19413,
"number_observations_unique": 888,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.185
},
{
"type": "R(meas)",
"value": 1.211
},
{
"type": "R(pim)",
"value": 0.238
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.900
},
{
"type": "CC(1/2)",
"value": 0.904
}
]
},
{
"resolution_limits": [45.730,8.790],
"number_observations": 3813,
"number_observations_unique": 229,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 57.500
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 16.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}