Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0a3eb6845095c071d8d19c4dbb4560b1",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.126,
"b": 71.126,
"c": 150.610,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.300,1.760],
"number_observations": 511569,
"number_observations_unique": 39370,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 25.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 13.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.790,1.760],
"number_observations": 28641,
"number_observations_unique": 2313,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.917
},
{
"type": "R(meas)",
"value": 0.956
},
{
"type": "R(pim)",
"value": 0.267
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 12.400
},
{
"type": "CC(1/2)",
"value": 0.859
}
]
},
{
"resolution_limits": [29.300,8.610],
"number_observations": 4673,
"number_observations_unique": 415,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 88.200
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 11.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}