Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c3d0255635b16352e53cab4f600afbee",
"space_group_name": "P 1",
"unit_cell": {
"a": 49.132,
"b": 59.626,
"c": 79.620,
"alpha": 79.86,
"beta": 81.64,
"gamma": 76.07
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.410,1.500],
"number_observations": 203554,
"number_observations_unique": 119825,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 88.000
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.590,1.500],
"number_observations": 26603,
"number_observations_unique": 18692,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.358
},
{
"type": "R(meas)",
"value": 1.921
},
{
"type": "R(pim)",
"value": 1.358
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 1.400
},
{
"type": "CC(1/2)",
"value": 0.399
}
]
},
{
"resolution_limits": [47.410,4.760],
"number_observations": 7227,
"number_observations_unique": 4012,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 21.200
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}