Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "417aeb21d7abfd5eecd2924d28e744be",
"space_group_name": "P 3 2 1",
"unit_cell": {
"a": 126.78,
"b": 126.78,
"c": 41.71,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.900,1.810],
"number_observations": 320881,
"number_observations_unique": 34354,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 17.300
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 9.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.860,1.810],
"number_observations": 26107,
"number_observations_unique": 2566,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.790
},
{
"type": "R(meas)",
"value": 1.886
},
{
"type": "R(pim)",
"value": 0.589
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.200
},
{
"type": "CC(1/2)",
"value": 0.569
}
]
},
{
"resolution_limits": [54.900,8.100],
"number_observations": 4245,
"number_observations_unique": 439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 70.000
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 9.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}