Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b82a5acaa1a5d77f94255ef18ca0ae80",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.725,
"b": 88.725,
"c": 39.411,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.360,1.000],
"number_observations": 1055425,
"number_observations_unique": 164925,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 16.400
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.020,1.000],
"number_observations": 36707,
"number_observations_unique": 7615,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.149
},
{
"type": "R(meas)",
"value": 2.409
},
{
"type": "R(pim)",
"value": 1.063
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.446
}
]
},
{
"resolution_limits": [44.360,5.480],
"number_observations": 7484,
"number_observations_unique": 1090,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 80.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}