Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c3f4e520ace6947e5398c5ad440dd892",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 59.445,
"b": 51.425,
"c": 64.353,
"alpha": 90.00,
"beta": 91.53,
"gamma": 90.00
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.080,1.950],
"number_observations": 121763,
"number_observations_unique": 27823,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations": 8508,
"number_observations_unique": 1971,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.811
},
{
"type": "R(meas)",
"value": 0.922
},
{
"type": "R(pim)",
"value": 0.424
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.779
}
]
},
{
"resolution_limits": [43.080,8.940],
"number_observations": 1354,
"number_observations_unique": 302,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 34.100
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}