Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f5cee6061c48d29d28382d968e45f299",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 37.259,
"b": 93.138,
"c": 80.439,
"alpha": 90.00,
"beta": 97.25,
"gamma": 90.00
},
"wavelengths": [0.97924],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.950,1.700],
"number_observations": 255084,
"number_observations_unique": 59211,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 13079,
"number_observations_unique": 3116,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.307
},
{
"type": "R(meas)",
"value": 1.497
},
{
"type": "R(pim)",
"value": 0.721
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.542
}
]
},
{
"resolution_limits": [19.950,9.000],
"number_observations": 1499,
"number_observations_unique": 375,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 27.100
},
{
"type": "Completeness",
"value": 87.100
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}