Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0613b776ca52f7b4a7089000fa8c4723",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.729,
"b": 71.729,
"c": 151.009,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.520,1.240],
"number_observations": 1236621,
"number_observations_unique": 111169,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 19.600
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 11.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.260,1.240],
"number_observations": 16810,
"number_observations_unique": 4731,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.696
},
{
"type": "R(meas)",
"value": 0.810
},
{
"type": "R(pim)",
"value": 0.400
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 86.900
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.657
}
]
},
{
"resolution_limits": [29.520,6.790],
"number_observations": 9912,
"number_observations_unique": 823,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 57.700
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 12.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}