Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "aad139631e73770f7cbdb3e0a1e80c8c",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 131.659,
"b": 131.659,
"c": 47.517,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.52,1.72],
"number_observations_unique": 44969,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "R(meas)",
"value": 0.154
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 8.0
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 25.1
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [47.52,9.09],
"number_observations_unique": 378,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 91.4
},
{
"type": "Completeness",
"value": 98.5
},
{
"type": "Redundancy",
"value": 18.4
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [1.75,1.72],
"number_observations_unique": 2368,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.786
},
{
"type": "R(meas)",
"value": 3.957
},
{
"type": "R(pim)",
"value": 1.138
},
{
"type": "I/SigI",
"value": 0.1
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 23.1
},
{
"type": "CC(1/2)",
"value": 0.316
}
]
}
]
}