Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "665693b13de5d7ab65e6f1246af9d062",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 26.459,
"b": 47.491,
"c": 46.527,
"alpha": 90.00,
"beta": 103.84,
"gamma": 90.00
},
"wavelengths": [1.11583],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.490,1.570],
"number_observations": 50656,
"number_observations_unique": 15634,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 12.500
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.600,1.570],
"number_observations": 1904,
"number_observations_unique": 722,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.779
},
{
"type": "R(meas)",
"value": 0.963
},
{
"type": "R(pim)",
"value": 0.558
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.692
}
]
},
{
"resolution_limits": [47.490,8.600],
"number_observations": 343,
"number_observations_unique": 107,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 42.600
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}