Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f254e8dce11081018c40abdb1e1291d8",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.367,
"b": 71.367,
"c": 150.273,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.380,1.310],
"number_observations": 1045315,
"number_observations_unique": 92763,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 21.800
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 11.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.330,1.310],
"number_observations": 16006,
"number_observations_unique": 3550,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.766
},
{
"type": "R(meas)",
"value": 0.857
},
{
"type": "R(pim)",
"value": 0.374
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 77.300
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.656
}
]
},
{
"resolution_limits": [29.380,7.150],
"number_observations": 7676,
"number_observations_unique": 697,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 68.100
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 11.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}