Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ca411f89c30f85d2eb11dc0679502b4d",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 101.297,
"b": 101.297,
"c": 76.465,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.550,1.776],
"number_observations_unique": 38487,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 17.500
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.810,1.780],
"number_observations_unique": 1936,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.679
},
{
"type": "R(meas)",
"value": 0.790
},
{
"type": "R(pim)",
"value": 0.395
},
{
"type": "Completeness",
"value": 89.200
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.651
}
]
},
{
"resolution_limits": [3.34,3.12],
"number_observations_unique": 1332,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.867
},
{
"type": "R(meas)",
"value": 0.941
},
{
"type": "R(pim)",
"value": 0.361
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 6.7
},
{
"type": "CC(1/2)",
"value": 0.770
}
]
}
]
}