Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "629fc3e3ac9ca1438f02aa05f1bf5881",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.444,
"b": 83.816,
"c": 58.855,
"alpha": 90.00,
"beta": 108.32,
"gamma": 90.00
},
"wavelengths": [0.92204],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.490,1.450],
"number_observations": 424630,
"number_observations_unique": 80258,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 18.300
},
{
"type": "Completeness",
"value": 89.000
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.480,1.450],
"number_observations": 3112,
"number_observations_unique": 1739,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.257
},
{
"type": "R(meas)",
"value": 1.739
},
{
"type": "R(pim)",
"value": 1.195
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 39.600
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.365
}
]
},
{
"resolution_limits": [46.490,7.950],
"number_observations": 3743,
"number_observations_unique": 588,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 87.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
}
]
}