Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "62e9a5bb5bc116b7a93e702b3c720e7b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.308,
"b": 41.386,
"c": 71.757,
"alpha": 90.00,
"beta": 104.16,
"gamma": 90.00
},
"wavelengths": [0.91770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [32.070,1.306],
"number_observations_unique": 56680,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 19.500
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.330,1.310],
"number_observations": 7339,
"number_observations_unique": 2103,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.508
},
{
"type": "R(meas)",
"value": 0.599
},
{
"type": "R(pim)",
"value": 0.307
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 72.800
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.834
}
]
},
{
"resolution_limits": [32.070,7.150],
"number_observations": 2394,
"number_observations_unique": 384,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 51.800
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}