Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ec4c4cc12f2fe6278ed7411e9a5df8e0",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 58.60,
"b": 67.38,
"c": 130.62,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.380,1.900],
"number_observations": 209056,
"number_observations_unique": 41276,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "R(meas)",
"value": 0.188
},
{
"type": "R(pim)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 7.900
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations": 13408,
"number_observations_unique": 2629,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.162
},
{
"type": "R(meas)",
"value": 2.424
},
{
"type": "R(pim)",
"value": 1.071
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.326
}
]
},
{
"resolution_limits": [67.380,9.110],
"number_observations": 2343,
"number_observations_unique": 465,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 17.400
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}