FIX numerical stabilty for small intensities #161
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mschwoer
approved these changes
May 22, 2024
| ) / (accumulated_intensity + new_intensity + 1e-6) | ||
| + LOW_EPSILON | ||
| ) / (accumulated_intensity + new_intensity + LOW_EPSILON) | ||
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| else: | ||
| new_error = ( | ||
| (new_mz_value - mz_query_list[k]) |
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in l.660 there's another magic number 10**6, mb introduce a constant also for this guy?
| @@ -633,14 +643,16 @@ def get_dense( | |||
| accumulated_dim1 = dense_output[1, k, j, 0, i] | |||
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| new_intensity = self.intensity_values[idx] | |||
| new_intensity = new_intensity * (new_intensity > HIGH_EPSILON) | |||
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it can be ppm or absolute masses, depending on the setting
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Very small intensities (~1e6) lead to misscalculation of mz values.
Fixed and documented for the future.