Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "219137131b3aa072b759bfdae376cfd4",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.074,
"b": 51.279,
"c": 78.953,
"alpha": 90.00,
"beta": 92.19,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.040,1.820],
"number_observations": 211509,
"number_observations_unique": 31477,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.339
},
{
"type": "R(meas)",
"value": 0.368
},
{
"type": "R(pim)",
"value": 0.141
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
"refln_shells": [
{
"resolution_limits": [1.850,1.820],
"number_observations": 8005,
"number_observations_unique": 1451,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.250
},
{
"type": "R(meas)",
"value": 2.482
},
{
"type": "R(pim)",
"value": 1.020
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 77.600
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.266
}
]
},
{
"resolution_limits": [44.040,9.080],
"number_observations": 1717,
"number_observations_unique": 277,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 18.900
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}