Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a27dddb3eebeb3dd60c84a1fb2e59d0f",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 79.414,
"b": 79.414,
"c": 139.478,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54060],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.970,2.050],
"number_observations": 77135,
"number_observations_unique": 14932,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 16.900
},
{
"type": "Completeness",
"value": 87.200
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.160,2.050],
"number_observations": 6624,
"number_observations_unique": 1675,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.424
},
{
"type": "R(meas)",
"value": 0.488
},
{
"type": "R(pim)",
"value": 0.236
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 69.300
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.811
}
]
},
{
"resolution_limits": [48.970,6.470],
"number_observations": 2998,
"number_observations_unique": 640,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 46.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}