Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "891a91972a3f6f2da191c31f29fd2146",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 105.222,
"b": 157.666,
"c": 181.740,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.880,2.700],
"number_observations": 612301,
"number_observations_unique": 83373,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "R(meas)",
"value": 0.197
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.750,2.700],
"number_observations": 33181,
"number_observations_unique": 4538,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.548
},
{
"type": "R(meas)",
"value": 1.665
},
{
"type": "R(pim)",
"value": 0.608
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.504
}
]
},
{
"resolution_limits": [19.880,14.030],
"number_observations": 3056,
"number_observations_unique": 438,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 26.400
},
{
"type": "Completeness",
"value": 65.600
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}