Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e9535087d0757f271ed245ab7bf4ecef",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 95.339,
"b": 95.339,
"c": 32.546,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.670,2.800],
"number_observations_unique": 4348,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.335
},
{
"type": "R(meas)",
"value": 0.363
},
{
"type": "R(pim)",
"value": 0.138
},
{
"type": "I/SigI",
"value": 4.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
"refln_shells": [
{
"resolution_limits": [2.950,2.800],
"number_observations_unique": 632,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.081
},
{
"type": "R(meas)",
"value": 1.177
},
{
"type": "R(pim)",
"value": 0.457
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.588
}
]
},
{
"resolution_limits": [47.670,8.860],
"number_observations_unique": 157,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(meas)",
"value": 0.155
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}