Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "57a660d3e441f62a9135c4883c6a07cf",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 47.956,
"b": 60.468,
"c": 65.205,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.700,1.680],
"number_observations": 140864,
"number_observations_unique": 22122,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 24.200
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.720,1.680],
"number_observations": 8685,
"number_observations_unique": 1583,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.691
},
{
"type": "R(meas)",
"value": 0.765
},
{
"type": "R(pim)",
"value": 0.321
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.861
}
]
},
{
"resolution_limits": [28.700,7.510],
"number_observations": 1640,
"number_observations_unique": 296,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 69.700
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}