Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "87c2bced27bdd4ec925c59b367a5a75f",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.319,
"b": 41.383,
"c": 71.804,
"alpha": 90.00,
"beta": 104.23,
"gamma": 90.00
},
"wavelengths": [0.91770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [32.060,1.750],
"number_observations": 160045,
"number_observations_unique": 24031,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.790,1.750],
"number_observations": 8637,
"number_observations_unique": 1348,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.613
},
{
"type": "R(meas)",
"value": 0.666
},
{
"type": "R(pim)",
"value": 0.258
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.888
}
]
},
{
"resolution_limits": [32.060,8.950],
"number_observations": 1330,
"number_observations_unique": 205,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 25.700
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}