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Data & Tools · Calculators · continued

Revisiting: Bug report: the reconstitution calculator and a rounding edge case posts 61–90

This is a continuation of a long topic, addressed by post number rather than by page. Start at post 1.

ES
e.silvaTL222 Jan 2025#61
OTeixeira, post #17: 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

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.

If anyone can point at the primary source I would be grateful.

1 like in reply to #17 18mo
TD
t.demirTL223 Jan 2025#62

A saved calculation is worth more than a remembered one. Write down the inputs alongside the result, because the result alone is unverifiable a month later.

I would rather post the uncertainty than round it away.

0 likes 18mo
HK
h.koodziejTL2Member24 Jan 2025#63

Noted, and thank you for writing it out rather than summarising it.

16 likes 18mo
EM
e.mwangiTL225 Jan 2025 · edited#64
d.szymanski, post #39: This follows post #38 rather than contradicting it. 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. That matches what I was told, which is not the same as knowing it. Go to post

The reconstitution calculation is total mass divided by total volume for concentration, then dose divided by concentration for volume, then volume times one hundred for units on a U-100 barrel. Three steps, and every error is in one of them.

None of the above is medical advice and I am not qualified to give any.

6 likes in reply to #39 18mo
TI
trough_indexTL3Regular25 Jan 2025#65

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.

If the premise is wrong, everything after it is decoration.

0 likes 18mo
HF
h.fonsecaTL226 Jan 2025#66

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.

Correct me on the arithmetic if it is wrong; I would rather know.

32 likes 18mo
NB
n.bridgewaterTL2Member27 Jan 2025#67

Coming back to post #64, because the follow-up matters more than the original answer.

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.

11 likes 18mo
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ne.laurentTL228 Jan 2025#68
a.jansen, post #34: The reconstitution calculation is total mass divided by total volume for concentration, then dose divided by concentration for volume, then volume times one hundred for units on a U-100 barrel. Three steps, and every error is in one of them. Go to post

Post #67 is right about the mechanism and I think understates the practical bit.

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.

3 likes in reply to #34 18mo
VM
v.milanoviTL3Regular29 Jan 2025 · edited#69
k.farrugia, post #5: I read post #3 twice before replying, because I had assumed the opposite. The most common input error is entering the vial mass in the concentration field. It produces a plausible number, which is why it survives. Go to post

Post #67 put the caveat in the right place and I want to underline it.

A saved calculation is worth more than a remembered one. Write down the inputs alongside the result, because the result alone is unverifiable a month later.

0 likes in reply to #5 18mo
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s.lundgrenTL229 Jan 2025#70

Where a calculator and your own arithmetic disagree, the productive move is to find which step differs rather than to decide which is right.

24 likes 18mo
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s.stavrianosTL2Member30 Jan 2025#71
l.aaltonen, post #29: Post #27 describes the usual case. This is about the unusual one. 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. Go to post

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.

The evidence for this is thinner than the way I have phrased it suggests.

9 likes in reply to #29 18mo
AV
a.villalobosTL231 Jan 2025#72

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.

It is the sort of thing that seems obvious in retrospect and was not at the time.

20 likes 18mo
D
DSakamotoTL3Regular1 Feb 2025#73

Post #70 is the version of this I will quote in future. One addition.

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

0 likes 18mo
EK
ew.kuuselaTL22 Feb 2025#74

Where I part company with post #72, and it is a narrow parting.

The most common input error is entering the vial mass in the concentration field. It produces a plausible number, which is why it survives.

On reflection I would soften that slightly.

2 likes 18mo
GD
glossary_deskTL3Regular2 Feb 2025#75
citation_peak, post #23: I read post #19 twice before replying, because I had assumed the opposite. 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. Go to post

Picking up post #74: that is the part I would want checked first.

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 #23 18mo
LK
l.krastevTL23 Feb 2025 · edited#76
e.ndiaye, post #40: Right — I had this wrong and I am glad to have read it before it mattered. Go to post

This is the first time the answer has come with its own limits attached. Appreciated.

28 likes in reply to #40 18mo
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DKwiatkowskiTL3Regular4 Feb 2025#77

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

0 likes 18mo
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j.lokkenTL25 Feb 2025#78

I had written a reply contradicting post #77 and deleted it. Here is what survived.

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.

5 likes 18mo
AL
aliquot_lineTL3Regular6 Feb 2025#79

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.

19 likes 18mo
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v.stanescuTL26 Feb 2025#80

Worth separating two things that post #77 runs together.

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.

0 likes 18mo
AV
ai.vukovicTL27 Feb 2025 · edited#81

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.

1 like 18mo
GP
g.pemberton_ukTL3Regional · UK8 Feb 2025#82

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.

0 likes 18mo
KB
k.batistaTL29 Feb 2025#83

Post #81 put the caveat in the right place and I want to underline it.

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

Old habit: I write down the expected answer before I calculate it.

25 likes 18mo
CR
crossover_reviewTL3Regular9 Feb 2025#84
h.fonseca, post #66: 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. Correct me on the arithmetic if it is wrong; I would rather know. Go to post

Building on post #81 rather than restating it.

A saved calculation is worth more than a remembered one. Write down the inputs alongside the result, because the result alone is unverifiable a month later.

Not the answer, but possibly the question that gets there.

12 likes in reply to #66 18mo
MG
m.guerreroTL210 Feb 2025#85
MM
methods_marginTL3Regular11 Feb 2025#86

Rounding behaviour is where two tools disagree. One rounding to the nearest graduation and one to two decimal places will produce different advice from identical inputs.

0 likes 18mo
NH
n.hartmannTL212 Feb 2025#87

That matches what I have seen, for whatever a single anecdote is worth.

18 likes 17mo
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stopper_traceTL2Member13 Feb 2025#88
integrator_log, post #60: This settles it for me, at least until somebody posts a reason it should not. Go to post

Post #86 is the version of this I will quote in future. One addition.

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.

The general answer and the answer for your case may diverge here.

8 likes in reply to #60 17mo
MA
m.amankwahTL213 Feb 2025#89

I read post #86 twice before replying, because I had assumed the opposite.

The reconstitution calculation is total mass divided by total volume for concentration, then dose divided by concentration for volume, then volume times one hundred for units on a U-100 barrel. Three steps, and every error is in one of them.

It is a small point and it changes the answer, which is an awkward combination.

0 likes 17mo
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vial_slopeTL3Regular14 Feb 2025#90

Adding thanks rather than a view. I do not have a view worth the space.

26 likes 17mo