Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "abe8bc0ffba07e2f2e360d65c1fd0937",
"space_group_name": "P 41 3 2",
"unit_cell": {
"a": 170.16,
"b": 170.16,
"c": 170.16,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.120,2.750],
"number_observations": 790190,
"number_observations_unique": 22527,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.280
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 14.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 35.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.940,2.750],
"number_observations": 125566,
"number_observations_unique": 3996,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.695
},
{
"type": "R(pim)",
"value": 0.663
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 31.400
},
{
"type": "CC(1/2)",
"value": 0.582
}
]
},
{
"resolution_limits": [49.120,7.780],
"number_observations": 42534,
"number_observations_unique": 1143,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 47.900
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 37.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}