Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dbd5d4cf89ed9e276fcd8271e4968b46",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 66.898,
"b": 153.586,
"c": 138.539,
"alpha": 90.00,
"beta": 102.39,
"gamma": 90.00
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.100,2.400],
"number_observations_unique": 105678,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 10.900
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.440,2.400],
"number_observations": 35144,
"number_observations_unique": 5171,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.049
},
{
"type": "R(meas)",
"value": 2.219
},
{
"type": "R(pim)",
"value": 0.845
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.438
}
]
},
{
"resolution_limits": [45.100,13.150],
"number_observations": 3857,
"number_observations_unique": 653,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 40.700
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}