Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2fa58a295250805fede987f9ed9cf3c7",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 134.453,
"b": 200.751,
"c": 160.593,
"alpha": 90.00,
"beta": 90.03,
"gamma": 90.00
},
"wavelengths": [0.97850],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.853,3.796],
"number_observations": 177199,
"number_observations_unique": 67737,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "R(meas)",
"value": 0.194
},
{
"type": "R(pim)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 4.800
},
{
"type": "Completeness",
"value": 81.100
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [3.861,3.796],
"number_observations": 8094,
"number_observations_unique": 3410,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.431
},
{
"type": "R(meas)",
"value": 0.536
},
{
"type": "R(pim)",
"value": 0.313
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 81.900
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.853
}
]
},
{
"resolution_limits": [19.853,9.884],
"number_observations": 8749,
"number_observations_unique": 3240,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 12.600
},
{
"type": "Completeness",
"value": 76.100
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}