Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3a5404c49bfb24f7b82da0c30126c6a3",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 83.682,
"b": 83.682,
"c": 140.346,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.84,2.450],
"number_observations_unique": 20923,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 16.000
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.550,2.450],
"number_observations": 9254,
"number_observations_unique": 2058,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.691
},
{
"type": "R(meas)",
"value": 0.781
},
{
"type": "R(pim)",
"value": 0.354
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 86.800
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.866
}
]
},
{
"resolution_limits": [41.840,8.840],
"number_observations": 2186,
"number_observations_unique": 507,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 45.300
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}