Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "399ba91bd4c77c760d6264ff86b1f111",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 93.544,
"b": 108.988,
"c": 94.043,
"alpha": 90.00,
"beta": 90.37,
"gamma": 90.00
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.194,2.948],
"number_observations_unique": 36092,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.420
},
{
"type": "R(meas)",
"value": 0.504
},
{
"type": "R(pim)",
"value": 0.274
},
{
"type": "I/SigI",
"value": 5.6
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.4
},
{
"type": "CC(1/2)",
"value": 0.953
}
]
},
"refln_shells": [
{
"resolution_limits": [47.15,10.57],
"number_observations_unique": 896,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "Redundancy",
"value": 5.9
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.19,3.05],
"number_observations_unique": 4383,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.358
},
{
"type": "R(meas)",
"value": 2.815
},
{
"type": "R(pim)",
"value": 1.520
},
{
"type": "Redundancy",
"value": 6.6
},
{
"type": "CC(1/2)",
"value": 0.355
}
]
}
]
}