Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2b926dee8088683c56f1d44bb106474e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 58.898,
"b": 148.247,
"c": 63.219,
"alpha": 90.00,
"beta": 98.02,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.420,1.750],
"number_observations_unique": 107592,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.780,1.750],
"number_observations_unique": 5354,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.529
},
{
"type": "R(meas)",
"value": 1.651
},
{
"type": "R(pim)",
"value": 0.616
},
{
"type": "I/SigI",
"value": 1.2
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.506
}
]
},
{
"resolution_limits": [49.420,9.590],
"number_observations_unique": 690,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 25.0
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}