Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8a7797da429fde940d3f59a00e24d6d1",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 85.86,
"b": 91.79,
"c": 128.78,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [91.790,2.600],
"number_observations": 460177,
"number_observations_unique": 32045,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "R(meas)",
"value": 0.174
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.720,2.600],
"number_observations": 55883,
"number_observations_unique": 3841,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.455
},
{
"type": "R(meas)",
"value": 2.544
},
{
"type": "R(pim)",
"value": 0.665
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.500
},
{
"type": "CC(1/2)",
"value": 0.725
}
]
},
{
"resolution_limits": [91.790,9.010],
"number_observations": 9929,
"number_observations_unique": 878,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 19.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 11.300
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}