Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c5f12e77d1d1c06acbc49ea6cbb6e269",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 37.332,
"b": 33.734,
"c": 60.226,
"alpha": 90.00,
"beta": 95.93,
"gamma": 90.00
},
"wavelengths": [0.92204],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.730,1.150],
"number_observations": 212018,
"number_observations_unique": 40866,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 18.700
},
{
"type": "Completeness",
"value": 76.900
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.170,1.150],
"number_observations": 152,
"number_observations_unique": 150,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.253
},
{
"type": "R(meas)",
"value": 0.358
},
{
"type": "R(pim)",
"value": 0.253
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 5.700
},
{
"type": "Redundancy",
"value": 1.000
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [33.730,6.300],
"number_observations": 2129,
"number_observations_unique": 353,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 97.900
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.000
}
]
}
]
}