Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9e1c4fdc4919aadb955a585b2fe61201",
"space_group_name": "P 1",
"unit_cell": {
"a": 73.77,
"b": 113.06,
"c": 162.71,
"alpha": 91.59,
"beta": 93.79,
"gamma": 89.98
},
"wavelengths": [0.97860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [93.980,2.300],
"number_observations": 875231,
"number_observations_unique": 226540,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 11.800
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.420,2.300],
"number_observations": 123159,
"number_observations_unique": 32634,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.301
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 4.400
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.904
}
]
},
{
"resolution_limits": [93.980,7.270],
"number_observations": 27269,
"number_observations_unique": 7219,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 22.000
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}