Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6ea1f1f3e62f46a2a7fad5b671d45e44",
"space_group_name": "P 65",
"unit_cell": {
"a": 46.648,
"b": 46.648,
"c": 127.967,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97910],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.950,1.500],
"number_observations_unique": 24714,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 20.300
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.500],
"number_observations": 2306,
"number_observations_unique": 1007,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.425
},
{
"type": "R(meas)",
"value": 0.540
},
{
"type": "R(pim)",
"value": 0.326
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 83.300
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.817
}
]
},
{
"resolution_limits": [19.950,8.220],
"number_observations": 545,
"number_observations_unique": 155,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 50.800
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}