Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3e899fcb5a6cb1c5a93ab0c7683f37e0",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 60.276,
"b": 79.619,
"c": 55.063,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03317],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.440,1.600],
"number_observations_unique": 67816,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 19.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.600],
"number_observations": 22144,
"number_observations_unique": 1762,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.717
},
{
"type": "R(meas)",
"value": 1.790
},
{
"type": "R(pim)",
"value": 0.498
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.653
}
]
},
{
"resolution_limits": [28.440,8.750],
"number_observations": 3032,
"number_observations_unique": 265,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 68.700
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 11.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}