Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "338cff24bb512fcd1c5f84f94d1f24a5",
"space_group_name": "I 41 2 2",
"unit_cell": {
"a": 58.83,
"b": 58.83,
"c": 176.75,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.74000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.300,1.950],
"number_observations": 257706,
"number_observations_unique": 11815,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0353
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 40.90
},
{
"type": "Completeness",
"value": 99.92
},
{
"type": "Redundancy",
"value": 21.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.02,1.950],
"number_observations_unique": 799,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.2533
},
{
"type": "R(meas)",
"value": 1.378
},
{
"type": "R(pim)",
"value": 0.298
},
{
"type": "I/SigI",
"value": 2.24
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.100
},
{
"type": "CC(1/2)",
"value": 0.796
}
]
},
{
"resolution_limits": [30.300,8.940],
"number_observations_unique": 159,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 21.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}