Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "240f67d15b6eeb3871c9cbaf638e8c6e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 85.279,
"b": 86.860,
"c": 98.089,
"alpha": 90.00,
"beta": 108.66,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.950,2.130],
"number_observations": 283773,
"number_observations_unique": 75756,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.170,2.130],
"number_observations": 13109,
"number_observations_unique": 4327,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.319
},
{
"type": "R(meas)",
"value": 0.391
},
{
"type": "R(pim)",
"value": 0.221
},
{
"type": "I/SigI",
"value": 3.300
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.868
}
]
},
{
"resolution_limits": [33.950,10.650],
"number_observations": 2167,
"number_observations_unique": 627,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 19.200
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}