Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "de391e60c486539f1bc52c98d793c5bc",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 71.950,
"b": 240.600,
"c": 101.479,
"alpha": 90.00,
"beta": 105.13,
"gamma": 90.00
},
"wavelengths": [0.98400],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.660,1.950],
"number_observations_unique": 449685,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "I/SigI",
"value": 5.800
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
"refln_shells": [
{
"resolution_limits": [1.980,1.950],
"number_observations": 37387,
"number_observations_unique": 11735,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.333
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.830
}
]
},
{
"resolution_limits": [49.660,10.680],
"number_observations": 5619,
"number_observations_unique": 1502,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.915
}
]
}
]
}