Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f2568ba5388fae88ca06a2f22684427b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 71.81,
"b": 46.48,
"c": 101.35,
"alpha": 90.00,
"beta": 94.47,
"gamma": 90.00
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.380,1.950],
"number_observations": 159064,
"number_observations_unique": 48721,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 10.700
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations": 11688,
"number_observations_unique": 3571,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.750
},
{
"type": "R(meas)",
"value": 0.898
},
{
"type": "R(pim)",
"value": 0.488
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.519
}
]
},
{
"resolution_limits": [56.380,8.720],
"number_observations": 1761,
"number_observations_unique": 573,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 28.500
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}