Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "00ee6de5ebfa167d5cb2160fa0fce18e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 31.623,
"b": 58.718,
"c": 62.383,
"alpha": 90.00,
"beta": 97.66,
"gamma": 90.00
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.340,1.400],
"number_observations": 309250,
"number_observations_unique": 42022,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 23.600
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.400],
"number_observations": 14754,
"number_observations_unique": 2009,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 92.600
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [31.340,7.670],
"number_observations": 1877,
"number_observations_unique": 284,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 32.400
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
}
]
}