Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "1cce5fe9365bf90df2b42d8d56f81334",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.515,
"b": 48.206,
"c": 71.266,
"alpha": 90.00,
"beta": 90.81,
"gamma": 90.00
},
"wavelengths": [0.92203],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.940,1.480],
"number_observations": 332985,
"number_observations_unique": 50837,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "R(meas)",
"value": 0.170
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [1.500,1.480],
"number_observations_unique": 2432,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.359
},
{
"type": "R(meas)",
"value": 2.648
},
{
"type": "R(pim)",
"value": 1.182
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.343
}
]
},
{
"resolution_limits": [39.940,7.950],
"number_observations_unique": 356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 34.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.945
}
]
}
]
}