Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1ed76ed7ba877d45242dcd34ce2dc98d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 60.816,
"b": 106.625,
"c": 83.030,
"alpha": 90.0,
"beta": 96.7,
"gamma": 90.0
},
"wavelengths": [0.97870],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.891,1.430],
"number_observations_unique": 191396,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 11.800
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.450,1.430],
"number_observations": 13022,
"number_observations_unique": 7807,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.850
},
{
"type": "R(meas)",
"value": 1.177
},
{
"type": "R(pim)",
"value": 0.811
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 81.700
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.374
}
]
},
{
"resolution_limits": [19.890,7.830],
"number_observations": 4184,
"number_observations_unique": 1155,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 39.100
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}