Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6e441b41c28e52b09e6b248853dc032e",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 161.537,
"b": 161.537,
"c": 647.375,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.000,6.700],
"number_observations": 955034,
"number_observations_unique": 9674,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.779
},
{
"type": "R(meas)",
"value": 0.783
},
{
"type": "R(pim)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 11.000
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 98.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [7.490,6.700],
"number_observations": 275234,
"number_observations_unique": 2677,
"quality_factors": [
{
"type": "R(merge)",
"value": 6.378
},
{
"type": "R(meas)",
"value": 6.409
},
{
"type": "R(pim)",
"value": 0.621
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 102.800
},
{
"type": "CC(1/2)",
"value": 0.675
}
]
},
{
"resolution_limits": [30.000,14.980],
"number_observations": 75729,
"number_observations_unique": 873,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.184
},
{
"type": "R(meas)",
"value": 0.185
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 30.600
},
{
"type": "Completeness",
"value": 87.500
},
{
"type": "Redundancy",
"value": 86.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}