Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "da9e6a109b86da7bcad2193ad64a93dc",
"space_group_name": "P 1",
"unit_cell": {
"a": 48.774,
"b": 82.705,
"c": 85.203,
"alpha": 65.59,
"beta": 87.73,
"gamma": 78.21
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.50,1.500],
"number_observations_unique": 183409,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.500],
"number_observations": 33438,
"number_observations_unique": 8927,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.868
},
{
"type": "R(meas)",
"value": 1.014
},
{
"type": "R(pim)",
"value": 0.521
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.750
}
]
},
{
"resolution_limits": [42.450,8.220],
"number_observations": 4000,
"number_observations_unique": 1106,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 47.100
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}