Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c9ae07cc1fc70eb89d435374742864e8",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 94.652,
"b": 94.652,
"c": 32.741,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.96600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.970,2.256],
"number_observations_unique": 7649,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 15.600
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.330,2.260],
"number_observations": 2483,
"number_observations_unique": 744,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.309
},
{
"type": "R(meas)",
"value": 0.368
},
{
"type": "R(pim)",
"value": 0.195
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.916
}
]
},
{
"resolution_limits": [81.970,9.020],
"number_observations": 430,
"number_observations_unique": 143,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 45.100
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}