Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "aecde5dda84b4ac87d15f20ab47fe58f",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 229.47,
"b": 229.47,
"c": 304.05,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97925],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.960,4.100],
"number_observations": 785734,
"number_observations_unique": 64175,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.364
},
{
"type": "R(meas)",
"value": 0.380
},
{
"type": "R(pim)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 6.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [4.200,4.100],
"number_observations": 57821,
"number_observations_unique": 4439,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.545
},
{
"type": "R(meas)",
"value": 1.608
},
{
"type": "R(pim)",
"value": 0.443
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.000
},
{
"type": "CC(1/2)",
"value": 0.609
}
]
},
{
"resolution_limits": [50.960,18.790],
"number_observations": 6056,
"number_observations_unique": 743,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 24.900
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 8.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}