Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b59385d8ad7b0761e80e0e3ffcf36635",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 53.062,
"b": 53.062,
"c": 199.794,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.860,1.680],
"number_observations": 215571,
"number_observations_unique": 33617,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 13.000
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.710,1.680],
"number_observations": 10070,
"number_observations_unique": 1640,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.471
},
{
"type": "R(meas)",
"value": 0.514
},
{
"type": "R(pim)",
"value": 0.202
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.890
}
]
},
{
"resolution_limits": [46.860,9.040],
"number_observations": 619,
"number_observations_unique": 160,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 17.800
},
{
"type": "Completeness",
"value": 50.700
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}