Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3da770346ea6e8e769f81d0920973141",
"space_group_name": "P 21 3",
"unit_cell": {
"a": 97.125,
"b": 97.125,
"c": 97.125,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [97.120,1.700],
"number_observations": 177289,
"number_observations_unique": 31019,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 20.300
},
{
"type": "Completeness",
"value": 91.700
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 845,
"number_observations_unique": 677,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.589
},
{
"type": "R(meas)",
"value": 0.770
},
{
"type": "R(pim)",
"value": 0.490
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 39.000
},
{
"type": "Redundancy",
"value": 1.200
},
{
"type": "CC(1/2)",
"value": 0.661
}
]
},
{
"resolution_limits": [97.120,9.000],
"number_observations": 1579,
"number_observations_unique": 264,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 64.600
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}