Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ba2ea3fc0369133d1834e5e88879c9db",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 77.093,
"b": 97.882,
"c": 142.271,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.67,2.040],
"number_observations_unique": 69038,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.080,2.040],
"number_observations": 21413,
"number_observations_unique": 3762,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.728
},
{
"type": "R(meas)",
"value": 0.800
},
{
"type": "R(pim)",
"value": 0.326
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 84.700
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.745
}
]
},
{
"resolution_limits": [29.660,9.760],
"number_observations": 4078,
"number_observations_unique": 707,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 25.100
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}