Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f523cbbc5d212255f9a6c39d427363f5",
"space_group_name": "F 4 3 2",
"unit_cell": {
"a": 176.76,
"b": 176.76,
"c": 176.76,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.552,2.150],
"number_observations_unique": 13408,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "R(meas)",
"value": 0.213
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 16.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.210,2.150],
"number_observations": 17016,
"number_observations_unique": 975,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.131
},
{
"type": "R(meas)",
"value": 2.196
},
{
"type": "R(pim)",
"value": 0.523
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.500
},
{
"type": "CC(1/2)",
"value": 0.632
}
]
},
{
"resolution_limits": [40.550,9.620],
"number_observations": 2383,
"number_observations_unique": 190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 30.200
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}