Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1b79ef5ac4aaf9cb17dd0075e5c55df1",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 49.536,
"b": 81.058,
"c": 225.181,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [76.270,2.190],
"number_observations": 354104,
"number_observations_unique": 47550,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 15.400
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.310,2.190],
"number_observations": 53895,
"number_observations_unique": 6844,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.850
},
{
"type": "R(meas)",
"value": 0.910
},
{
"type": "R(pim)",
"value": 0.322
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.900
},
{
"type": "CC(1/2)",
"value": 0.691
}
]
},
{
"resolution_limits": [76.270,6.930],
"number_observations": 11252,
"number_observations_unique": 1700,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 44.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}