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Data & Tools · Calculators · continued

Validating a calculator against hand arithmetic — what changed since posts 31–60

This is a continuation of a long topic, addressed by post number rather than by page. Start at post 1 · go to the accepted answer.

RM
r.mcalisterTL3Regular24 Apr 2025#31

Everything in post #27 holds. The case it does not cover is the one I have.

Dose equivalence calculator: compounds have different potencies. The calculator is provided with a caveat: "equivalence" is not precise and individual response varies. It is a rough starting point, not a dose prescription.

One more caveat and then I will stop qualifying: the sample selected itself.

16 likes 15mo
AI
a.iyerTL224 Apr 2025#32

Thank you for the correction. I would rather find out here than later.

6 likes 15mo
DT
dexa_twice_yearlyTL3Regular25 Apr 2025#33

Practical note on Validating a calculator against hand: write down what you expect before you look. The number of times I have found what I went looking for is higher than chance would allow.

0 likes 15mo
RN
r.nakamuraTL226 Apr 2025#34
n.osei, post #13: Why calculators are not medical advice: they do arithmetic. Medical decisions are not arithmetic. A calculator that says a certain dose is "compatible with" a certain body mass is not a prescription. Adding the caveat now so it does not have to be extracted later. Go to post

I disagree with the framing of Validating a calculator against hand above, and I think it is a substantive disagreement rather than a terminological one. Setting out why, so it can be checked.

The reasoning depends on an assumption that is doing a lot of work and is never stated. If the assumption holds, the conclusion follows. I do not think it holds generally.

31 likes in reply to #13 15mo
GP
g.pemberton_ukTL3Regional · UK26 Apr 2025 · edited#35
ai.vukovic, post #10: Answering the question post #6 raises rather than the one it answers. Worth separating Validating a calculator against hand as a question about the compound from Validating a calculator against hand as a question about the documentation. They get answered by different people and only one of them is answerable here. Go to post

Reporting bugs: if you notice a calculator giving wrong results, report it in this subcategory. Bugs are fixed when identified.

One case, stated as one case.

22 likes in reply to #10 15mo
RS
r.szaboTL227 Apr 2025#36

Why calculators are not medical advice: they do arithmetic. Medical decisions are not arithmetic. A calculator that says a certain dose is "compatible with" a certain body mass is not a prescription.

I keep a log of this specifically because memory is unreliable about it.

10 likes 15mo
CR
crossover_reviewTL3Regular27 Apr 2025#37

Significant figures in the output should not exceed what the inputs support. A concentration calculated from a nominal vial mass is not known to four decimal places.

1 like 15mo
NB
n.boatengTL228 Apr 2025#38

Building on post #35 rather than restating it.

Do the arithmetic by hand the first few times, whatever tool you use afterwards. A calculator with a wrong input gives a confident wrong answer and there is nothing in the interface to tell you.

0 likes 15mo
MM
methods_marginTL3Regular28 Apr 2025#39
crossover_review, post #37: Significant figures in the output should not exceed what the inputs support. A concentration calculated from a nominal vial mass is not known to four decimal places. Go to post

Small correction to my own earlier position on Validating a calculator against hand. I had the units the wrong way round, which changes the conclusion by an order of magnitude and therefore changes it entirely.

6 likes in reply to #37 15mo
KB
k.batistaTL229 Apr 2025#40

Post #39 is right about the mechanism and I think understates the practical bit.

Precision and significant figures: the calculators do not round to match your input precision. If you input values to one decimal place, the output might have more. Use significant figures appropriate to your input precision.

1 like 15mo
I
IsaksenTL3Regular30 Apr 2025#41

Confirming post #40 from a second method, which matters more than confirming it from a second person.

Validating a calculator against hand came up in a thread eighteen months ago and was answered well. I cannot find it, which is itself the problem, so here is the reconstruction.

8 likes 15mo
TB
t.batistaTL230 Apr 2025#42
BBramley, post #23: Building on post #22 rather than restating it. Mass error checking: enter your observed mass and theoretical mass and check whether the difference in ppm is within reasonable bounds for your instrument. Useful sanity check on LC-MS results. Go to post

Maintaining a calculator means checking the arithmetic against hand-worked cases at each review, not checking that it still loads.

20 likes in reply to #23 15mo
BP
bench_peakTL3Regular1 May 2025#43

Nothing a calculator produces is medical advice, and a correct calculation on inappropriate inputs is still an inappropriate answer.

Somebody will have a better source than mine, and I hope they post it.

0 likes 15mo
MA
m.adebayoTL21 May 2025#44

Post #42 describes the usual case. This is about the unusual one.

The calculators maintained on this site are open-source and verifiable. They are intended to check arithmetic, not to replace medical judgement. Using them is optional and they are provided for convenience.

It is worth stating the boring hypothesis before the interesting one.

0 likes 15mo
FE
footnote_entryTL3Regular2 May 2025 · edited#45
l.wikstrom, post #20: The honest answer on Validating a calculator against hand is that it depends, and the useful part is the list of what it depends on. Four items, in rough order of how much they matter. Most people get the first two right and then argue about the fourth. Go to post

Unit-conversion tools are only as good as the assumption they make about the syringe. Ask what barrel and what graduation interval it assumed before trusting the units figure.

13 likes in reply to #20 15mo
NA
n.achebeTL22 May 2025#46
f.fontaine, post #30: A calculator that shows its working is worth ten that give an answer. The whole value is being able to see which step you disagree with. A guess, clearly labelled as one. Go to post

My position on Validating a calculator against hand is current rather than settled. I have revised it once already and I expect to again, so treat it accordingly.

27 likes in reply to #30 15mo
TN
t.nardoneTL3Regular3 May 2025#47

Picking up post #44: that is the part I would want checked first.

A note on how Validating a calculator against hand gets discussed rather than on Validating a calculator against hand itself: the confident posts get the replies and the careful ones get ignored, and the careful ones have been right more often.

0 likes 15mo
TI
t.ibarraTL24 May 2025#48

On post #46 — agreed on the reasoning, with one qualification.

Reconstitution calculator: enter vial mass, final volume target, and the calculator tells you concentration and syringe mark for a given dose. Useful for double-checking arithmetic when you are doing it by hand.

2 likes 15mo
B
BramleyTL2Member4 May 2025#49

Titration planning: a calculator that shows you the escalation schedule for different starting and ending doses can help you visualize your path. Actual path might be slower or adjusted for tolerability.

Happy to expand any of that if it is the useful part.

2 likes 15mo
RM
r.mwangiTL25 May 2025#50

Offering a way to settle Validating a calculator against hand rather than another opinion about it. Two measurements, taken the same way, a fortnight apart. If the difference is within the noise, the question was not answerable at this precision.

9 likes 15mo
TV
t.verhoevenTL25 May 2025#51
j.iyer, post #11: Post #9 describes the usual case. This is about the unusual one. The most common input error is entering the vial mass in the concentration field. It produces a plausible number, which is why it survives. A weak preference rather than a position. Go to post

The version of Validating a calculator against hand that I was taught turned out to be a teaching simplification. Useful, and not true in the way I had assumed it was.

18 likes in reply to #11 15mo
H
HRouhaniTL1Member6 May 2025#52

Tools that run entirely in the browser send nothing anywhere, which matters more to some people here than others and is worth stating either way.

I am not the right person to answer the follow-up to this.

7 likes 15mo
EM
e.mensaTL26 May 2025#53

Fair, and the limits you put on it are the part I will remember.

1 like 15mo
VD
vial_deskTL3Regular7 May 2025#54

Taking post #52 at face value and following it one step further.

Storage lookup: which conditions (temperature, time) are you considering storing in, and how much stability loss is expected? The calculator gives a rough estimate based on typical stability data. Not a substitute for your compound's specific stability data.

0 likes 15mo
TT
t.tullochTL27 May 2025#55
s.kuusela, post #17: The documentation on Validating a calculator against hand is better than this thread and I say that as someone who has posted in the thread. Go to post

The number people quote for Validating a calculator against hand is a central estimate presented without its interval, and the interval is wide enough that the estimate is nearly uninformative on its own.

25 likes in reply to #17 15mo
B
BBramleyTL3Regular8 May 2025 · edited#56

Validating a calculator against hand was covered in the wiki last year and the page has a review date on it, which is a better starting point than my memory of a thread.

12 likes 15mo
CS
c.serranoTL28 May 2025#57

Worth separating two things that post #54 runs together.

Reporting bugs: if you notice a calculator giving wrong results, report it in this subcategory. Bugs are fixed when identified.

4 likes 15mo
TN
t.nardoneTL3Regular9 May 2025#58
crossover_review, post #37: Significant figures in the output should not exceed what the inputs support. A concentration calculated from a nominal vial mass is not known to four decimal places. Go to post

Why calculators are not medical advice: they do arithmetic. Medical decisions are not arithmetic. A calculator that says a certain dose is "compatible with" a certain body mass is not a prescription.

0 likes in reply to #37 15mo
TA
t.abubakarTL29 May 2025#59

Do the arithmetic by hand the first few times, whatever tool you use afterwards. A calculator with a wrong input gives a confident wrong answer and there is nothing in the interface to tell you.

Take the reasoning and check the arithmetic; I do not always get it right.

8 likes 15mo
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PSkarbekTL3Regular10 May 2025#60

Confirming post #57 from a second method, which matters more than confirming it from a second person.

A calculator that shows its working is worth ten that give an answer. The whole value is being able to see which step you disagree with.

That holds under the stated conditions and I have stated them.

2 likes 15mo