Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3c01c2dd3d0a4f0199b7be651a0388cc",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 163.27,
"b": 80.24,
"c": 223.82,
"alpha": 90.0,
"beta": 106.5,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [80.240,2.900],
"number_observations_unique": 122214,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.234
},
{
"type": "R(meas)",
"value": 0.253
},
{
"type": "R(pim)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.950,2.900],
"number_observations_unique": 5841,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.797
},
{
"type": "R(meas)",
"value": 3.048
},
{
"type": "R(pim)",
"value": 1.189
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.641
}
]
},
{
"resolution_limits": [80.240,15.880],
"number_observations_unique": 823,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}