Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3a46b8a96ab2258cc1298e37ef68ac9d",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 66.189,
"b": 66.189,
"c": 110.599,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.100,1.500],
"number_observations_unique": 40177,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 20.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.550,1.500],
"number_observations_unique": 3855,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.703
},
{
"type": "R(meas)",
"value": 0.759
},
{
"type": "R(pim)",
"value": 0.199
},
{
"type": "I/SigI",
"value": 4.0
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.200
},
{
"type": "CC(1/2)",
"value": 0.876
}
]
},
{
"resolution_limits": [43.100,5.810],
"number_observations_unique": 821,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 13.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}