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Data & Tools · Calculators · continued

Revisiting: Bug report: the reconstitution calculator and a rounding edge case posts 31–60

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

DB
dr_bhattacharyaTL3Physician26 Dec 2024#31
lyophil_margin, post #7: 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. 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.

18 likes in reply to #7 19mo
TD
t.duarteTL2 Moderator27 Dec 2024#32
s.beaulieu, post #14: Having read the exchange above, I think I was wrong earlier in this topic and I want to say so plainly rather than quietly editing. The correction was fair and I had been repeating something I had not checked carefully enough. Go to post

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.

0 likes in reply to #14 19mo
EF
e.ferreiraTL3Regular28 Dec 2024#33

This follows post #30 rather than contradicting it.

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.

1 like 19mo
AJ
a.jansenTL2 Moderator29 Dec 2024#34

Having read the exchange above, I think I was wrong earlier in this topic and I want to say so plainly rather than quietly editing.

The correction was fair and I had been repeating something I had not checked carefully enough.

7 likes 19mo
TD
titration_diaryTL3Regular30 Dec 2024#35
f.abrahamsen, post #11: Picking up post #8: that is the part I would want checked first. 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. Go to post

Thank you for the correction. I have edited my earlier post with a note rather than silently, so the thread still makes sense to read. The error was mine and it was the kind that comes from remembering a figure instead of looking it up.

12 likes in reply to #11 19mo
IG
i.guerreroTL2 Moderator31 Dec 2024#36

On post #32 — agreed on the reasoning, with one qualification.

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

26 likes 19mo
BW
bac_waterTL2Regular1 Jan 2025#37

Units: all calculators explicitly require units to be stated. This prevents the decimal-point errors that come from forgetting units. Always verify units in and out.

0 likes 19mo
SZ
s.zamoraTL2 Moderator2 Jan 2025#38

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.

4 likes 19mo
DS
d.szymanskiTL3Wiki editor3 Jan 2025#39

post #38 is right about the mechanism and I think understates the practical bit.

Offline use: all calculators are written in JavaScript and can be downloaded and run offline if desired. They do not require internet connectivity to function.

8 likes 19mo
EN
e.ndiayeTL2 Moderator4 Jan 2025#40
i.dumitru, post #26: 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. Go to post

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.

19 likes in reply to #26 19mo
AM
a.molnarTL2 Moderator5 Jan 2025#41
s.demir, post #28: 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. Go to post

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.

13 likes in reply to #28 19mo
D
DSakamotoTL36 Jan 2025#42
AW
am.wikstromTL2 Moderator7 Jan 2025#43

I read post #41 twice before replying, because I had assumed the opposite.

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.

0 likes 19mo
I
IbrahimoviTL2Member7 Jan 2025 · edited#44

Thank you for the correction. I have edited my earlier post with a note rather than silently, so the thread still makes sense to read. The error was mine and it was the kind that comes from remembering a figure instead of looking it up.

0 likes 19mo
HK
h.krastevTL2 Moderator8 Jan 2025#45
i.guerrero, post #36: On post #32 — agreed on the reasoning, with one qualification. Reporting bugs: if you notice a calculator giving wrong results, report it in this subcategory. Bugs are fixed when identified. Go to post

On post #41 — agreed on the reasoning, with one qualification.

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.

19 likes in reply to #36 19mo
D
DKwiatkowskiTL3Regular9 Jan 2025#46

post #45 answers the question as asked. The question underneath it is different.

Units: all calculators explicitly require units to be stated. This prevents the decimal-point errors that come from forgetting units. Always verify units in and out.

8 likes 19mo
CK
c.kuuselaTL2 Moderator10 Jan 2025#47

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.

2 likes 19mo
TF
taper_fileTL3Regular11 Jan 2025#48

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.

0 likes 19mo
SO
sa.okonkwoTL2 Moderator12 Jan 2025#49
Ibrahimovi, post #44: Thank you for the correction. I have edited my earlier post with a note rather than silently, so the thread still makes sense to read. The error was mine and it was the kind that comes from remembering a figure instead of looking it up. Go to post

Worth separating two things that post #45 runs together.

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.

5 likes in reply to #44 18mo
JD
j.delacroixTL3Regular13 Jan 2025#50

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 18mo
KA
k.asanteTL2 Moderator14 Jan 2025#51

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.

0 likes 18mo
CC
crossref_checkTL3Wiki editor14 Jan 2025 · edited#52
CFairweather, post #21: 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

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

3 likes in reply to #21 18mo
NK
n.kravchenkoTL2 Moderator15 Jan 2025#53

Offline use: all calculators are written in JavaScript and can be downloaded and run offline if desired. They do not require internet connectivity to function.

10 likes 18mo
CO
c.okaforTL3Regular16 Jan 2025#54

Worth separating two things that post #50 runs together.

Practical note that does not fit anywhere else. Whatever you conclude from this topic, write down what you did and when. The single most useful thing in your own records is not any individual result; it is that they are dated and consecutive.

22 likes 18mo
IW
i.wojcikTL2 Moderator17 Jan 2025#55

Picking up post #52: that is the part I would want checked first.

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

1 like 18mo
BE
bench_entryTL3Regular18 Jan 2025#56
OTeixeira, post #17: Reporting bugs: if you notice a calculator giving wrong results, report it in this subcategory. Bugs are fixed when identified. 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.

5 likes in reply to #17 18mo
JF
j.falkTL2 Moderator19 Jan 2025#57

I disagree with the reply above, and I think the disagreement is substantive rather than terminological.

The distinction being drawn does not survive when you look at the published data for this specific question. I would be glad to be shown wrong on this, because the version I am arguing against is more convenient.

15 likes 18mo
V
VPoulsenTL3Regular20 Jan 2025#58

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.

30 likes 18mo
FL
f.lindholmTL2 Moderator20 Jan 2025#59
citation_peak, post #23: On post #19 — 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. Go to post

This follows post #56 rather than contradicting it.

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.

31 likes in reply to #23 18mo
IL
integrator_logTL3Regular21 Jan 2025#60
bac_water, post #37: Units: all calculators explicitly require units to be stated. This prevents the decimal-point errors that come from forgetting units. Always verify units in and out. Go to post

I read post #58 twice before replying, because I had assumed the opposite.

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.

0 likes in reply to #37 18mo