Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0377b6091f1a57c84f3a9c393c9bf320",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 48.05,
"b": 89.87,
"c": 97.31,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.850,1.920],
"number_observations": 206669,
"number_observations_unique": 32976,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.139
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.970,1.920],
"number_observations": 13722,
"number_observations_unique": 2158,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.175
},
{
"type": "R(meas)",
"value": 1.279
},
{
"type": "R(pim)",
"value": 0.503
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.245
}
]
},
{
"resolution_limits": [38.850,9.010],
"number_observations": 2023,
"number_observations_unique": 384,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 22.000
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}