Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "bae36d2f21c09adeb2e315a1307f6db5",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 51.432,
"b": 75.726,
"c": 78.508,
"alpha": 90.000,
"beta": 99.378,
"gamma": 90.000
},
"wavelengths": [0.97600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.15,1.41],
"number_observations_unique": 113781,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.139
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 4.8
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 6.2
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [54.15,7.72],
"number_observations_unique": 737,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 41.7
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 6.5
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [1.43,1.41],
"number_observations_unique": 4931,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.299
},
{
"type": "R(meas)",
"value": 2.853
},
{
"type": "R(pim)",
"value": 1.665
},
{
"type": "I/SigI",
"value": 0.1
},
{
"type": "Completeness",
"value": 86.6
},
{
"type": "Redundancy",
"value": 4.8
},
{
"type": "CC(1/2)",
"value": 0.324
}
]
}
]
}