Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1e8d31588372c61cd0bbef08693d2404",
"space_group_name": "P 4",
"unit_cell": {
"a": 118.67,
"b": 118.67,
"c": 44.23,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [59.410,1.840],
"number_observations_unique": 53600,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.880,1.840],
"number_observations": 9208,
"number_observations_unique": 3248,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.328
},
{
"type": "R(meas)",
"value": 0.403
},
{
"type": "R(pim)",
"value": 0.231
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.861
}
]
},
{
"resolution_limits": [59.330,9.010],
"number_observations": 1302,
"number_observations_unique": 496,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 22.300
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}