Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "40c4762c116a618c3ba6c7f74dfb8401",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 59.06,
"b": 59.06,
"c": 212.70,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.730,1.920],
"number_observations": 310501,
"number_observations_unique": 33630,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "R(meas)",
"value": 0.200
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 9.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.970,1.920],
"number_observations": 20944,
"number_observations_unique": 2375,
"quality_factors": [
{
"type": "R(merge)",
"value": 7.380
},
{
"type": "R(meas)",
"value": 7.857
},
{
"type": "R(pim)",
"value": 2.648
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 8.800
},
{
"type": "CC(1/2)",
"value": 0.395
}
]
},
{
"resolution_limits": [49.730,8.590],
"number_observations": 3784,
"number_observations_unique": 463,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 33.400
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 8.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}