Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1f4b71a5e20e55f855ce73e833bcb5b1",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 57.909,
"b": 70.995,
"c": 75.057,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00068],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.850,1.400],
"number_observations": 792058,
"number_observations_unique": 61695,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 30.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.400],
"number_observations": 40240,
"number_observations_unique": 3032,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.858
},
{
"type": "R(meas)",
"value": 0.893
},
{
"type": "R(pim)",
"value": 0.243
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.300
},
{
"type": "CC(1/2)",
"value": 0.909
}
]
},
{
"resolution_limits": [45.850,7.670],
"number_observations": 4708,
"number_observations_unique": 452,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "R(pim)",
"value": 0.006
},
{
"type": "I/SigI",
"value": 99.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 10.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}