Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "472aade0412a1db231cc362faaf50653",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 28.294,
"b": 40.492,
"c": 43.259,
"alpha": 90.00,
"beta": 104.14,
"gamma": 90.00
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.060,1.520],
"number_observations_unique": 26768,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 8.400
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.550,1.520],
"number_observations": 2124,
"number_observations_unique": 720,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.477
},
{
"type": "R(meas)",
"value": 0.578
},
{
"type": "R(pim)",
"value": 0.322
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.798
}
]
},
{
"resolution_limits": [19.060,8.330],
"number_observations": 251,
"number_observations_unique": 92,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 19.000
},
{
"type": "Completeness",
"value": 90.300
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}