Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bb2a334b503069b55589a3266332759e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 86.299,
"b": 147.888,
"c": 171.395,
"alpha": 90.00,
"beta": 91.67,
"gamma": 90.00
},
"wavelengths": [0.97915],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.269,3.471],
"number_observations": 184286,
"number_observations_unique": 53754,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "R(meas)",
"value": 0.175
},
{
"type": "R(pim)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 6.700
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
"refln_shells": [
{
"resolution_limits": [3.530,3.471],
"number_observations": 9085,
"number_observations_unique": 2755,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.786
},
{
"type": "R(meas)",
"value": 0.942
},
{
"type": "R(pim)",
"value": 0.513
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.652
}
]
},
{
"resolution_limits": [48.269,9.399],
"number_observations": 8546,
"number_observations_unique": 2783,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 16.100
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
}
]
}