Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "45e97dc2367bffa56b9d8e482e5c7c70",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 81.79,
"b": 81.79,
"c": 134.77,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.810,1.750],
"number_observations": 1003986,
"number_observations_unique": 53296,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 18.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.800,1.750],
"number_observations": 61909,
"number_observations_unique": 3872,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.096
},
{
"type": "R(meas)",
"value": 4.231
},
{
"type": "R(pim)",
"value": 1.055
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.000
},
{
"type": "CC(1/2)",
"value": 0.341
}
]
},
{
"resolution_limits": [27.810,7.830],
"number_observations": 9378,
"number_observations_unique": 673,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 57.800
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 13.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}