Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "366745133fdc7ea2a5d1a43432abb836",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 81.262,
"b": 81.262,
"c": 140.550,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [140.550,1.740],
"number_observations": 552967,
"number_observations_unique": 29009,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.130
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 16.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.740],
"number_observations": 78502,
"number_observations_unique": 4118,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.300
},
{
"type": "R(meas)",
"value": 1.336
},
{
"type": "R(pim)",
"value": 0.304
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.100
},
{
"type": "CC(1/2)",
"value": 0.902
}
]
},
{
"resolution_limits": [140.550,5.500],
"number_observations": 17704,
"number_observations_unique": 1088,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 46.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 16.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}