Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "33bdcf67ad9b72453aee625691a7a97b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 66.660,
"b": 167.184,
"c": 137.124,
"alpha": 90.00,
"beta": 92.58,
"gamma": 90.00
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [136.990,2.850],
"number_observations": 350600,
"number_observations_unique": 69824,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.348
},
{
"type": "R(meas)",
"value": 0.391
},
{
"type": "R(pim)",
"value": 0.175
},
{
"type": "I/SigI",
"value": 4.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.878
}
]
},
"refln_shells": [
{
"resolution_limits": [2.910,2.850],
"number_observations": 22961,
"number_observations_unique": 4501,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.125
},
{
"type": "R(meas)",
"value": 2.372
},
{
"type": "R(pim)",
"value": 1.042
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.327
}
]
},
{
"resolution_limits": [136.990,13.670],
"number_observations": 3028,
"number_observations_unique": 662,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 9.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
}
]
}