Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "afca439396e61d567d71ea9dd5c4602d",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 67.232,
"b": 185.042,
"c": 128.577,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [92.52,1.88],
"number_observations_unique": 472780,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.180
},
{
"type": "R(meas)",
"value": 0.194
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 3.6
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 7.2
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
"refln_shells": [
{
"resolution_limits": [92.52,5.097],
"number_observations_unique": 3494,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.12
},
{
"type": "R(meas)",
"value": 0.13
},
{
"type": "R(pim)",
"value": 0.05
},
{
"type": "I/SigI",
"value": 7.1
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [1.910,1.88],
"number_observations_unique": 3217,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.68
},
{
"type": "R(meas)",
"value": 4.12
},
{
"type": "R(pim)",
"value": 1.79
},
{
"type": "I/SigI",
"value": 0.5
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 5
},
{
"type": "CC(1/2)",
"value": 0.322
}
]
}
]
}