Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a7e34e317642faf928ee65ee096ea2a8",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 102.304,
"b": 102.304,
"c": 86.921,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.12720],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.240,1.938],
"number_observations": 249722,
"number_observations_unique": 34803,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 13.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.945,1.938],
"number_observations": 2426,
"number_observations_unique": 331,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.679
},
{
"type": "R(meas)",
"value": 1.804
},
{
"type": "R(pim)",
"value": 0.655
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.531
}
]
},
{
"resolution_limits": [66.240,8.989],
"number_observations": 2380,
"number_observations_unique": 422,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 28.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}