Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "822c2b177bea204f7add181f5dc30ede",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 93.609,
"b": 41.954,
"c": 183.029,
"alpha": 90.00,
"beta": 97.08,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.085,2.250],
"number_observations_unique": 34125,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 17.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.320,2.250],
"number_observations": 20451,
"number_observations_unique": 3150,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.929
},
{
"type": "R(meas)",
"value": 1.010
},
{
"type": "R(pim)",
"value": 0.394
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.710
}
]
},
{
"resolution_limits": [48.080,9.000],
"number_observations": 3514,
"number_observations_unique": 585,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 67.300
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}