Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "aa2ed37c045e74a8a6d7ccb0d8a24292",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.415,
"b": 79.701,
"c": 83.828,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.914,2.00],
"number_observations_unique": 22773,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 12.900
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.010,2.003],
"number_observations_unique": 219,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.243
},
{
"type": "R(meas)",
"value": 2.407
},
{
"type": "R(pim)",
"value": 0.870
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.364
}
]
},
{
"resolution_limits": [41.914,9.264],
"number_observations_unique": 262,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "Completeness",
"value": 89.400
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}