Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2226b758c3ba3d9ce60a8b24e2c35a80",
"space_group_name": "P 1",
"unit_cell": {
"a": 48.89,
"b": 59.51,
"c": 79.98,
"alpha": 79.68,
"beta": 82.07,
"gamma": 76.20
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.900,1.660],
"number_observations": 174437,
"number_observations_unique": 97841,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.700,1.660],
"number_observations": 11848,
"number_observations_unique": 7176,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.690
},
{
"type": "R(meas)",
"value": 0.976
},
{
"type": "R(pim)",
"value": 0.690
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.612
}
]
},
{
"resolution_limits": [49.900,7.420],
"number_observations": 2098,
"number_observations_unique": 1115,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 26.200
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}