Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0b93eeecf8681e53fe5032ea058ce7cc",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 163.05,
"b": 73.87,
"c": 108.64,
"alpha": 90.00,
"beta": 99.96,
"gamma": 90.00
},
"wavelengths": [1.03321],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.6200,2.400],
"number_observations_unique": 49968,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 19.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.480,2.400],
"number_observations": 32254,
"number_observations_unique": 4594,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.769
},
{
"type": "R(meas)",
"value": 0.831
},
{
"type": "R(pim)",
"value": 0.313
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.876
}
]
},
{
"resolution_limits": [48.570,9.600],
"number_observations": 4941,
"number_observations_unique": 817,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 62.100
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}