Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "af7c665ebcf05ed26d94c93012b83ded",
"space_group_name": "P 3 2 1",
"unit_cell": {
"a": 148.167,
"b": 148.167,
"c": 45.295,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.96770,2.75000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [74.193,2.67],
"number_observations_unique": 16178,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "R(meas)",
"value": 0.149
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 10.1
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 7.1
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.80,2.67],
"number_observations_unique": 2088,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.725
},
{
"type": "R(meas)",
"value": 1.995
},
{
"type": "R(pim)",
"value": 0.986
},
{
"type": "I/SigI",
"value": 0.9
},
{
"type": "Completeness",
"value": 97.1
},
{
"type": "Redundancy",
"value": 13.1
},
{
"type": "CC(1/2)",
"value": 0.384
}
]
},
{
"resolution_limits": [2.72,2.67],
"number_observations_unique": 9665,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.328
},
{
"type": "R(meas)",
"value": 1.385
},
{
"type": "R(pim)",
"value": 0.377
},
{
"type": "I/SigI",
"value": 0.7
},
{
"type": "Completeness",
"value": 93.3
},
{
"type": "CC(1/2)",
"value": 0.334
}
]
}
]
}