Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cb766043795b4b1e10bb3cf256ee240a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.25,
"b": 63.26,
"c": 133.69,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54060],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.950,2.010],
"number_observations": 98612,
"number_observations_unique": 34806,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 10.500
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.060,2.010],
"number_observations": 6592,
"number_observations_unique": 2493,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.217
},
{
"type": "R(meas)",
"value": 0.269
},
{
"type": "R(pim)",
"value": 0.156
},
{
"type": "I/SigI",
"value": 5.100
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.821
}
]
},
{
"resolution_limits": [45.950,9.000],
"number_observations": 1053,
"number_observations_unique": 388,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 16.900
},
{
"type": "Completeness",
"value": 85.500
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
}
]
}