Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9ee73f9a95f684ce42516d2a614bf48f",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 77.098,
"b": 101.440,
"c": 127.189,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [79.310,2.300],
"number_observations": 121867,
"number_observations_unique": 22415,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.420,2.300],
"number_observations": 16045,
"number_observations_unique": 3236,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.666
},
{
"type": "R(meas)",
"value": 1.862
},
{
"type": "R(pim)",
"value": 0.816
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.375
}
]
},
{
"resolution_limits": [79.310,7.270],
"number_observations": 4008,
"number_observations_unique": 791,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 28.100
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}