Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "19cef19b1621d8751a3329602c01e8f6",
"space_group_name": "P 43",
"unit_cell": {
"a": 64.660,
"b": 64.660,
"c": 11.417,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.62000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [64.66,1.59],
"number_observations_unique": 6855,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.269
},
{
"type": "R(meas)",
"value": 0.318
},
{
"type": "R(pim)",
"value": 0.169
},
{
"type": "I/SigI",
"value": 3.8
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 6.3
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
"refln_shells": [
{
"resolution_limits": [64.66,8.71],
"number_observations_unique": 62,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 9.8
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 4.0
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [1.62,1.59],
"number_observations_unique": 353,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.936
},
{
"type": "R(meas)",
"value": 3.480
},
{
"type": "R(pim)",
"value": 1.850
},
{
"type": "I/SigI",
"value": 0.7
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.3
},
{
"type": "CC(1/2)",
"value": 0.173
}
]
}
]
}