Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "46cdb8a4d16a135f1f517113b3de52a0",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 120.809,
"b": 124.182,
"c": 133.885,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99987],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.524,2.540],
"number_observations_unique": 66790,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "R(meas)",
"value": 0.169
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 15.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 13.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.600,2.540],
"number_observations": 58761,
"number_observations_unique": 4295,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.788
},
{
"type": "R(meas)",
"value": 1.857
},
{
"type": "R(pim)",
"value": 0.497
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 13.700
},
{
"type": "CC(1/2)",
"value": 0.831
}
]
},
{
"resolution_limits": [45.520,11.920],
"number_observations": 8613,
"number_observations_unique": 744,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 69.400
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 11.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}