Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9e2ba01dc86c370091708bcfa498ed46",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.398,
"b": 56.552,
"c": 101.802,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.100,1.550],
"number_observations": 311164,
"number_observations_unique": 46195,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 19.700
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.590,1.550],
"number_observations": 22160,
"number_observations_unique": 3346,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.873
},
{
"type": "R(meas)",
"value": 0.946
},
{
"type": "R(pim)",
"value": 0.361
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.776
}
]
},
{
"resolution_limits": [29.100,6.930],
"number_observations": 3847,
"number_observations_unique": 609,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 73.600
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}