Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a78c2a1c65744f2419cfe91ebddbe4dc",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 106.138,
"b": 62.712,
"c": 110.240,
"alpha": 90.000,
"beta": 105.107,
"gamma": 90.000
},
"wavelengths": [0.88560],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.380,1.100],
"number_observations": 617436,
"number_observations_unique": 263501,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.120,1.100],
"number_observations": 27637,
"number_observations_unique": 11972,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.995
},
{
"type": "R(meas)",
"value": 1.272
},
{
"type": "R(pim)",
"value": 0.785
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 85.700
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.328
}
]
},
{
"resolution_limits": [45.380,6.020],
"number_observations": 4142,
"number_observations_unique": 1715,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 19.400
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}