Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3a65424b84add8bf3f50bf1a53ad942e",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 56.731,
"b": 87.090,
"c": 87.226,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.580,1.530],
"number_observations": 285608,
"number_observations_unique": 63530,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 21.100
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.560,1.530],
"number_observations": 5129,
"number_observations_unique": 1779,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.372
},
{
"type": "R(pim)",
"value": 0.238
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 55.800
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.828
}
]
},
{
"resolution_limits": [34.580,8.380],
"number_observations": 1948,
"number_observations_unique": 444,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.013
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 82.100
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}