Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "888f94f1f2aaaa277122815d209be63c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 40.688,
"b": 102.009,
"c": 56.601,
"alpha": 90.00,
"beta": 99.75,
"gamma": 90.00
},
"wavelengths": [0.97241],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.94,1.700],
"number_observations_unique": 48957,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 25.500
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 14.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 37119,
"number_observations_unique": 2557,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.765
},
{
"type": "R(meas)",
"value": 1.829
},
{
"type": "R(pim)",
"value": 0.474
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 14.500
},
{
"type": "CC(1/2)",
"value": 0.710
}
]
},
{
"resolution_limits": [48.940,9.000],
"number_observations": 5173,
"number_observations_unique": 350,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.006
},
{
"type": "I/SigI",
"value": 181.800
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 14.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}