Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "661020d4e5e3d72975cfe14e4ae6687f",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 221.567,
"b": 111.852,
"c": 127.897,
"alpha": 90.00,
"beta": 122.62,
"gamma": 90.00
},
"wavelengths": [0.97934],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.660,1.900],
"number_observations": 1558992,
"number_observations_unique": 202894,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 16.700
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 7.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.930,1.900],
"number_observations": 79060,
"number_observations_unique": 9923,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.398
},
{
"type": "R(meas)",
"value": 0.426
},
{
"type": "R(pim)",
"value": 0.150
},
{
"type": "I/SigI",
"value": 4.800
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 8.000
},
{
"type": "CC(1/2)",
"value": 0.943
}
]
},
{
"resolution_limits": [46.660,10.410],
"number_observations": 9670,
"number_observations_unique": 1290,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 31.600
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}