Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "71c108b10b4b24163ece8b10ca20b614",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 80.613,
"b": 49.422,
"c": 114.279,
"alpha": 90.00,
"beta": 95.16,
"gamma": 90.00
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.870,1.780],
"number_observations": 588827,
"number_observations_unique": 86405,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 11.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
"refln_shells": [
{
"resolution_limits": [1.810,1.780],
"number_observations": 24136,
"number_observations_unique": 4386,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.681
},
{
"type": "R(meas)",
"value": 2.966
},
{
"type": "R(pim)",
"value": 1.243
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.266
}
]
},
{
"resolution_limits": [56.870,9.410],
"number_observations": 4245,
"number_observations_unique": 648,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 58.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.948
}
]
}
]
}