Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "aaba6af0d11084610a9d25bade50adb3",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.812,
"b": 52.949,
"c": 44.631,
"alpha": 90.00,
"beta": 103.16,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.930,1.390],
"number_observations": 179937,
"number_observations_unique": 50348,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.410,1.390],
"number_observations": 4394,
"number_observations_unique": 2074,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.929
},
{
"type": "R(meas)",
"value": 1.141
},
{
"type": "R(pim)",
"value": 0.650
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 80.700
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.481
}
]
},
{
"resolution_limits": [54.930,7.610],
"number_observations": 1425,
"number_observations_unique": 339,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 32.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}