Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "16bf3038f31085fc8ee0be4c0a7bc133",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 60.811,
"b": 124.407,
"c": 61.034,
"alpha": 90.00,
"beta": 119.49,
"gamma": 90.00
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.710,1.650],
"number_observations": 355460,
"number_observations_unique": 93484,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.650],
"number_observations": 17249,
"number_observations_unique": 4501,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.015
},
{
"type": "R(meas)",
"value": 1.179
},
{
"type": "R(pim)",
"value": 0.599
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.495
}
]
},
{
"resolution_limits": [48.710,9.040],
"number_observations": 2137,
"number_observations_unique": 589,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 35.900
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}