Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "356d2b1589a83a7c89d96c7d7e0f8740",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.127,
"b": 41.737,
"c": 71.906,
"alpha": 90.00,
"beta": 103.86,
"gamma": 90.00
},
"wavelengths": [0.97750],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.910,1.45],
"number_observations_unique": 40634,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 20.800
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.480,1.460],
"number_observations": 6470,
"number_observations_unique": 1934,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.478
},
{
"type": "R(meas)",
"value": 0.566
},
{
"type": "R(pim)",
"value": 0.300
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 89.400
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.792
}
]
},
{
"resolution_limits": [34.910,7.840],
"number_observations": 916,
"number_observations_unique": 293,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 63.500
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}