Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "57f370c1325951ba4ac14836dbd107a9",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 48.757,
"b": 154.584,
"c": 54.083,
"alpha": 90.00,
"beta": 90.15,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.760,2.200],
"number_observations": 129787,
"number_observations_unique": 39974,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 12.700
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.270,2.200],
"number_observations": 11062,
"number_observations_unique": 3454,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.378
},
{
"type": "R(meas)",
"value": 0.453
},
{
"type": "R(pim)",
"value": 0.247
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.864
}
]
},
{
"resolution_limits": [48.760,9.070],
"number_observations": 1774,
"number_observations_unique": 567,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 28.600
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}