Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "127b5ec398a47ca31c585a5f94d81b64",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 63.138,
"b": 63.279,
"c": 131.599,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98400],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [65.800,1.650],
"number_observations": 381328,
"number_observations_unique": 64185,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.690,1.650],
"number_observations": 29148,
"number_observations_unique": 4685,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.842
},
{
"type": "R(meas)",
"value": 0.919
},
{
"type": "R(pim)",
"value": 0.365
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.747
}
]
},
{
"resolution_limits": [65.800,7.380],
"number_observations": 4296,
"number_observations_unique": 842,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 31.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}