Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5e8d432ab3cf3a9ec42c4bd358d55ad6",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.003,
"b": 84.785,
"c": 87.705,
"alpha": 90.00,
"beta": 130.96,
"gamma": 90.00
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.240,1.30],
"number_observations": 762906,
"number_observations_unique": 126656,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 14.300
},
{
"type": "Completeness",
"value": 78.200
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.400,1.330],
"number_observations": 14383,
"number_observations_unique": 5285,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.053
},
{
"type": "R(meas)",
"value": 1.284
},
{
"type": "R(pim)",
"value": 0.718
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 22.600
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.571
}
]
},
{
"resolution_limits": [66.240,4.190],
"number_observations": 36089,
"number_observations_unique": 5250,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 55.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}