Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e34a5bc8be0ed90e1073847caf7187f5",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 41.781,
"b": 47.746,
"c": 57.217,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00001],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.750,1.120],
"number_observations": 330975,
"number_observations_unique": 42419,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
"value": 0.141
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 7.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.140,1.120],
"number_observations": 2262,
"number_observations_unique": 1180,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 35.700
},
{
"type": "Completeness",
"value": 54.500
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [47.750,6.140],
"number_observations": 2595,
"number_observations_unique": 335,
"quality_factors": [
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.700
}
]
}
]
}