Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9c5cbdaf343cca620f7c11b7e4dd33c5",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 47.981,
"b": 91.555,
"c": 162.133,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.07,2.210],
"number_observations_unique": 26338,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.185
},
{
"type": "R(meas)",
"value": 0.195
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 89.800
},
{
"type": "Redundancy",
"value": 9.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.332,2.212],
"number_observations": 12587,
"number_observations_unique": 1318,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.363
},
{
"type": "R(meas)",
"value": 1.439
},
{
"type": "R(pim)",
"value": 0.457
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 79.000
},
{
"type": "Redundancy",
"value": 9.600
},
{
"type": "CC(1/2)",
"value": 0.809
}
]
},
{
"resolution_limits": [81.066,6.942],
"number_observations": 12562,
"number_observations_unique": 1317,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 26.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 9.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}