Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "daa55e55f186b969f57359b703d09971",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 88.928,
"b": 81.103,
"c": 105.938,
"alpha": 90.00,
"beta": 113.06,
"gamma": 90.00
},
"wavelengths": [1.07809],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.95,1.744],
"number_observations_unique": 116473,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.941,1.935],
"number_observations": 3446,
"number_observations_unique": 966,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.552
},
{
"type": "R(meas)",
"value": 0.652
},
{
"type": "R(pim)",
"value": 0.343
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.792
}
]
},
{
"resolution_limits": [81.820,8.978],
"number_observations": 3640,
"number_observations_unique": 1076,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 19.800
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}