Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b27b77ad8549b7e22cdef1da8295adc6",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 34.268,
"b": 54.005,
"c": 35.525,
"alpha": 90.00,
"beta": 95.86,
"gamma": 90.00
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.340,1.40],
"number_observations_unique": 25015,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 22.000
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.400],
"number_observations": 8059,
"number_observations_unique": 1233,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [35.340,7.660],
"number_observations": 1210,
"number_observations_unique": 173,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 36.500
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}