Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "14055ba225d3f9c6951e3c8b3f7acd36",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 100.648,
"b": 125.595,
"c": 101.021,
"alpha": 90.0,
"beta": 106.5,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.870,2.500],
"number_observations": 488797,
"number_observations_unique": 83267,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "R(meas)",
"value": 0.138
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 10.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.550,2.500],
"number_observations": 27196,
"number_observations_unique": 4568,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.995
},
{
"type": "R(meas)",
"value": 1.092
},
{
"type": "R(pim)",
"value": 0.446
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.662
}
]
},
{
"resolution_limits": [29.870,12.990],
"number_observations": 3535,
"number_observations_unique": 582,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 29.800
},
{
"type": "Completeness",
"value": 92.100
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}