Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b260e8801a823707e09f68e4aa9cb41e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 63.882,
"b": 97.399,
"c": 62.995,
"alpha": 90.00,
"beta": 90.01,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [97.40,1.980],
"number_observations_unique": 51964,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 17.600
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.030,1.980],
"number_observations": 13529,
"number_observations_unique": 3409,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.235
},
{
"type": "R(meas)",
"value": 0.272
},
{
"type": "R(pim)",
"value": 0.134
},
{
"type": "I/SigI",
"value": 5.100
},
{
"type": "Completeness",
"value": 90.700
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [44.860,9.070],
"number_observations": 2195,
"number_observations_unique": 576,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 40.800
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}