Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4b48288c1c7b12aa4d63fff2511d96a2",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 81.76,
"b": 27.05,
"c": 55.48,
"alpha": 90.00,
"beta": 99.73,
"gamma": 90.00
},
"wavelengths": [0.97622],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.290,1.430],
"number_observations": 67504,
"number_observations_unique": 22184,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 10.000
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.470,1.430],
"number_observations": 3701,
"number_observations_unique": 1582,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.893
},
{
"type": "R(meas)",
"value": 1.142
},
{
"type": "R(pim)",
"value": 0.702
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.583
}
]
},
{
"resolution_limits": [40.290,6.400],
"number_observations": 784,
"number_observations_unique": 274,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 26.700
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}