Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f88d6f1df475fe392a9021a3cdc179c4",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 82.36,
"b": 27.00,
"c": 55.56,
"alpha": 90.00,
"beta": 99.73,
"gamma": 90.00
},
"wavelengths": [0.97622],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.590,1.330],
"number_observations": 147863,
"number_observations_unique": 24832,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 19.400
},
{
"type": "Completeness",
"value": 88.200
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.360,1.330],
"number_observations": 3031,
"number_observations_unique": 882,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.995
},
{
"type": "R(meas)",
"value": 1.172
},
{
"type": "R(pim)",
"value": 0.608
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 42.600
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.696
}
]
},
{
"resolution_limits": [40.590,5.950],
"number_observations": 2127,
"number_observations_unique": 344,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 55.500
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}