Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3d64bfdf00894c0e5710e49ab963b012",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 59.86,
"b": 59.86,
"c": 112.97,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.95000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.930,2.750],
"number_observations": 80395,
"number_observations_unique": 6506,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.480
},
{
"type": "R(meas)",
"value": 0.501
},
{
"type": "R(pim)",
"value": 0.141
},
{
"type": "I/SigI",
"value": 4.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.400
},
{
"type": "CC(1/2)",
"value": 0.948
}
]
},
"refln_shells": [
{
"resolution_limits": [2.900,2.750],
"number_observations": 11988,
"number_observations_unique": 939,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.312
},
{
"type": "R(meas)",
"value": 1.366
},
{
"type": "R(pim)",
"value": 0.376
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 0.753
}
]
},
{
"resolution_limits": [29.930,8.700],
"number_observations": 2282,
"number_observations_unique": 236,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.228
},
{
"type": "R(meas)",
"value": 0.242
},
{
"type": "R(pim)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 7.700
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 9.700
},
{
"type": "CC(1/2)",
"value": 0.916
}
]
}
]
}