Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3bed39ab65d4005692c319f3316a32f8",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 53.492,
"b": 53.492,
"c": 192.728,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [18.910,1.450],
"number_observations_unique": 50700,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 19.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 11.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.500,1.450],
"number_observations": 57837,
"number_observations_unique": 5143,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.585
},
{
"type": "R(meas)",
"value": 0.611
},
{
"type": "R(pim)",
"value": 0.176
},
{
"type": "I/SigI",
"value": 3.800
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 11.200
},
{
"type": "CC(1/2)",
"value": 0.926
}
]
},
{
"resolution_limits": [18.910,5.430],
"number_observations": 11264,
"number_observations_unique": 1071,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 39.500
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 10.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}