Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "53e42b675bd9d337f1065db708b15e7e",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 79.447,
"b": 126.761,
"c": 171.020,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [101.837,3.142],
"number_observations_unique": 27157,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.378
},
{
"type": "R(meas)",
"value": 0.393
},
{
"type": "R(pim)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 9.7
},
{
"type": "Completeness",
"value": 92.9
},
{
"type": "Redundancy",
"value": 13.3
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [3.198,3.143],
"number_observations_unique": 153,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.178
},
{
"type": "R(meas)",
"value": 3.314
},
{
"type": "R(pim)",
"value": 0.935
},
{
"type": "I/SigI",
"value": 1.2
},
{
"type": "Completeness",
"value": 12.8
},
{
"type": "Redundancy",
"value": 12.4
},
{
"type": "CC(1/2)",
"value": 0.309
}
]
},
{
"resolution_limits": [171.085,8.532],
"number_observations_unique": 1687,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 42.1
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 12.2
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}