Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "56e05ca3d8982eb7c10dbf717e11d7a4",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 40.045,
"b": 43.669,
"c": 99.984,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97945],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.670,1.700],
"number_observations": 128263,
"number_observations_unique": 20007,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 14.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 6820,
"number_observations_unique": 1044,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.788
},
{
"type": "R(meas)",
"value": 1.942
},
{
"type": "R(pim)",
"value": 0.751
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.671
}
]
},
{
"resolution_limits": [43.670,9.000],
"number_observations": 945,
"number_observations_unique": 176,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 49.200
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}