Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "461a1e964eb997af107150a2cdb89490",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 94.425,
"b": 99.896,
"c": 131.357,
"alpha": 90.00,
"beta": 95.86,
"gamma": 90.00
},
"wavelengths": [1.00000,0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [99.900,3.2770],
"number_observations_unique": 37569,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 17.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [3.450,3.280],
"number_observations_unique": 5459,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.793
},
{
"type": "R(meas)",
"value": 0.856
},
{
"type": "R(pim)",
"value": 0.319
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.802
}
]
},
{
"resolution_limits": [99.900,10.360],
"number_observations_unique": 1246,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}