Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "348da5a8ba769b941c5f62b5e87dc9f7",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 89.639,
"b": 60.825,
"c": 143.069,
"alpha": 90.00,
"beta": 93.75,
"gamma": 90.00
},
"wavelengths": [0.96770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [142.76000,2.500],
"number_observations_unique": 52941,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 13.600
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.590,2.500],
"number_observations": 21335,
"number_observations_unique": 4660,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.128
},
{
"type": "R(meas)",
"value": 1.276
},
{
"type": "R(pim)",
"value": 0.580
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 89.900
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.606
}
]
},
{
"resolution_limits": [48.000,9.690],
"number_observations": 5112,
"number_observations_unique": 977,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 45.900
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}