Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "79764810b8eb2b4a71d6c9d9159c3251",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 49.315,
"b": 139.972,
"c": 50.623,
"alpha": 90.00,
"beta": 112.56,
"gamma": 90.00
},
"wavelengths": [0.99900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.751,1.450],
"number_observations_unique": 111521,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 21.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.480,1.450],
"number_observations_unique": 5415,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.861
},
{
"type": "R(meas)",
"value": 0.932
},
{
"type": "R(pim)",
"value": 0.353
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.807
}
]
},
{
"resolution_limits": [10,7.950],
"number_observations_unique": 708,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}