Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cec7d9511ef92545eb5c2b96046d39ba",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 65.609,
"b": 70.863,
"c": 81.191,
"alpha": 90.00,
"beta": 100.56,
"gamma": 90.00
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.954,2.000],
"number_observations_unique": 55375,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 11.400
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 22632,
"number_observations_unique": 3587,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.274
},
{
"type": "R(meas)",
"value": 1.389
},
{
"type": "R(pim)",
"value": 0.545
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.798
}
]
},
{
"resolution_limits": [19.950,8.940],
"number_observations": 3417,
"number_observations_unique": 528,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 34.300
},
{
"type": "Completeness",
"value": 89.700
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}