Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5ad77787c6c1a7d38941fccd2b253db5",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.755,
"b": 56.339,
"c": 102.010,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.110,1.450],
"number_observations": 380369,
"number_observations_unique": 54870,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 20.200
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.490,1.450],
"number_observations": 26940,
"number_observations_unique": 3910,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.709
},
{
"type": "R(meas)",
"value": 0.766
},
{
"type": "R(pim)",
"value": 0.286
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 92.700
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.864
}
]
},
{
"resolution_limits": [29.110,6.480],
"number_observations": 4663,
"number_observations_unique": 736,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 67.100
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}