Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a9b5404e4dcf4a075ca037eb6d26e6a1",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 58.828,
"b": 128.427,
"c": 148.889,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.62,1.840],
"number_observations_unique": 98678,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "R(meas)",
"value": 0.152
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 13.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.870,1.840],
"number_observations": 68370,
"number_observations_unique": 4785,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.416
},
{
"type": "R(meas)",
"value": 2.505
},
{
"type": "R(pim)",
"value": 0.660
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.300
},
{
"type": "CC(1/2)",
"value": 0.543
}
]
},
{
"resolution_limits": [48.620,10.080],
"number_observations": 6945,
"number_observations_unique": 705,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 42.000
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 9.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}