Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5e75c268ff897980271a2048fcf6a8ff",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 80.177,
"b": 80.177,
"c": 138.784,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.770,1.640],
"number_observations": 634852,
"number_observations_unique": 33192,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 26.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.640],
"number_observations": 44063,
"number_observations_unique": 2391,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.791
},
{
"type": "R(meas)",
"value": 0.813
},
{
"type": "R(pim)",
"value": 0.187
},
{
"type": "I/SigI",
"value": 4.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 18.400
},
{
"type": "CC(1/2)",
"value": 0.920
}
]
},
{
"resolution_limits": [27.770,7.330],
"number_observations": 7608,
"number_observations_unique": 456,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 83.100
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 16.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}