Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "20dd952eadbe8006fe16d6fe7c175dbe",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 49.706,
"b": 87.925,
"c": 89.378,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03330],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.729,1.31],
"number_observations_unique": 94662,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "R(meas)",
"value": 0.138
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 12.4
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 13.1
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [44.69,7.18],
"number_observations_unique": 685,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 32.7
},
{
"type": "Redundancy",
"value": 11.4
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [1.33,1.31],
"number_observations_unique": 4574,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.603
},
{
"type": "R(meas)",
"value": 1.741
},
{
"type": "R(pim)",
"value": 0.672
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Redundancy",
"value": 13.0
},
{
"type": "CC(1/2)",
"value": 0.646
}
]
}
]
}