Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dc50ef7b4b0bce761257329bb69f6083",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 82.803,
"b": 82.803,
"c": 263.071,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [71.710,1.970],
"number_observations": 1367042,
"number_observations_unique": 38197,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.527
},
{
"type": "R(meas)",
"value": 0.535
},
{
"type": "R(pim)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 35.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.080,1.970],
"number_observations": 196438,
"number_observations_unique": 5497,
"quality_factors": [
{
"type": "R(merge)",
"value": 5.857
},
{
"type": "R(meas)",
"value": 5.941
},
{
"type": "R(pim)",
"value": 0.991
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 35.700
},
{
"type": "CC(1/2)",
"value": 0.417
}
]
},
{
"resolution_limits": [71.710,6.240],
"number_observations": 38845,
"number_observations_unique": 1452,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 34.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 26.800
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}