Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2bbac5b68b921eb4720dae603fd15d3b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.524,
"b": 41.399,
"c": 72.158,
"alpha": 90.00,
"beta": 104.44,
"gamma": 90.00
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [32.150,1.350],
"number_observations": 164813,
"number_observations_unique": 52776,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.370,1.350],
"number_observations": 3821,
"number_observations_unique": 2149,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.529
},
{
"type": "R(meas)",
"value": 0.695
},
{
"type": "R(pim)",
"value": 0.446
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 82.200
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.605
}
]
},
{
"resolution_limits": [32.150,7.400],
"number_observations": 1060,
"number_observations_unique": 357,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 34.900
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}