Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "56a6283c8bebe5143c21bf568ea033b3",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 37.588,
"b": 37.588,
"c": 87.480,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95360],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.740,1.550],
"number_observations": 112139,
"number_observations_unique": 9760,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 15.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.580,1.550],
"number_observations": 5477,
"number_observations_unique": 478,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.021
},
{
"type": "R(meas)",
"value": 2.117
},
{
"type": "R(pim)",
"value": 0.622
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 0.526
}
]
},
{
"resolution_limits": [43.740,8.490],
"number_observations": 581,
"number_observations_unique": 91,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 42.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}