Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d857ca68d564169a1895e1e1e340d0d7",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 121.678,
"b": 145.826,
"c": 378.752,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91800],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.720,4.500],
"number_observations": 135607,
"number_observations_unique": 20450,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.668
},
{
"type": "R(meas)",
"value": 0.725
},
{
"type": "R(pim)",
"value": 0.278
},
{
"type": "I/SigI",
"value": 3.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
"refln_shells": [
{
"resolution_limits": [4.930,4.500],
"number_observations": 31990,
"number_observations_unique": 4814,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.548
},
{
"type": "R(meas)",
"value": 2.765
},
{
"type": "R(pim)",
"value": 1.067
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.323
}
]
},
{
"resolution_limits": [47.720,11.020],
"number_observations": 8239,
"number_observations_unique": 1492,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 18.900
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}