Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "982518c814a7dbfcae8b1fcd5e518c7a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 48.778,
"b": 81.904,
"c": 224.879,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [74.960,2.090],
"number_observations": 410661,
"number_observations_unique": 54838,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.128
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 10.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.200,2.090],
"number_observations": 61487,
"number_observations_unique": 7892,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.265
},
{
"type": "R(meas)",
"value": 1.355
},
{
"type": "R(pim)",
"value": 0.482
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.800
},
{
"type": "CC(1/2)",
"value": 0.720
}
]
},
{
"resolution_limits": [74.960,6.590],
"number_observations": 13243,
"number_observations_unique": 1946,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 35.400
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}