Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f0ee4a3f103cc135118a70fc77998e6d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 30.660,
"b": 85.000,
"c": 59.608,
"alpha": 90.00,
"beta": 92.49,
"gamma": 90.00
},
"wavelengths": [0.97623],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [59.550,1.700],
"number_observations_unique": 33463,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(meas)",
"value": 0.159
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 6.400
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations_unique": 1754,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.025
},
{
"type": "R(meas)",
"value": 1.158
},
{
"type": "R(pim)",
"value": 0.529
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.656
}
]
},
{
"resolution_limits": [59.550,9.000],
"number_observations_unique": 245,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}