Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a6a87c2341e44325c75a8409e2417be2",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 191.798,
"b": 69.643,
"c": 206.866,
"alpha": 90.00,
"beta": 93.75,
"gamma": 90.00
},
"wavelengths": [1.00800],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.960,3.000],
"number_observations_unique": 54838,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [3.090,3.000],
"number_observations": 14704,
"number_observations_unique": 4246,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.772
},
{
"type": "R(meas)",
"value": 0.913
},
{
"type": "R(pim)",
"value": 0.482
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.793
}
]
},
{
"resolution_limits": [47.960,12.720],
"number_observations": 2607,
"number_observations_unique": 775,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 35.500
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}