Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bd2813faedf5867f6aa64b498dab94b1",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 70.749,
"b": 70.749,
"c": 249.520,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.050,1.690],
"number_observations_unique": 72750,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 26.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 26.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.720,1.690],
"number_observations": 91422,
"number_observations_unique": 3530,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.511
},
{
"type": "R(meas)",
"value": 1.541
},
{
"type": "R(pim)",
"value": 0.298
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 25.900
},
{
"type": "CC(1/2)",
"value": 0.861
}
]
},
{
"resolution_limits": [49.050,9.080],
"number_observations": 12219,
"number_observations_unique": 595,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 76.400
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 20.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}