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Data & Tools · Calculators · continued

The mass-error checker and its intended scope posts 31–60

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

K
KStephanopoulosTL3Regular5 Jun 2024#31

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 2.1y
TI
t.ibarraTL2 Moderator6 Jun 2024#32
h.ramos, post #16: 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

Coming back to post #30, because the follow-up matters more than the original answer.

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.

3 likes in reply to #16 2.1y
FE
footnote_entryTL3Regular6 Jun 2024 · edited#33

post #32 answers the question as asked. The question underneath it is different.

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.

11 likes 2.1y
HC
h.castellanosTL2 Moderator7 Jun 2024#34

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.

24 likes 2.1y
BP
bench_peakTL3Regular7 Jun 2024#35

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.

1 like 2.1y
MN
m.ndiayeTL2 Moderator8 Jun 2024#36

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.

6 likes 2.1y
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IsaksenTL3Regular8 Jun 2024#37
f.fenwick, post #27: 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

post #36 is right about the mechanism and I think understates the practical bit.

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

16 likes in reply to #27 2.1y
TB
t.batistaTL29 Jun 2024#38
CT
cannula_traceTL3Regular9 Jun 2024#39

Picking up post #36: that is the part I would want checked first.

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.

3 likes 2.1y
DB
da.bakkerTL2 Moderator10 Jun 2024 · edited#40

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.

10 likes 2.1y
RN
r.novakTL2 Moderator10 Jun 2024 · edited#41

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.

0 likes 2.1y
OA
o.abrahamsenTL3Regular11 Jun 2024#42

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 2.1y
MN
m.nwosuTL2 Moderator11 Jun 2024#43
t.ibarra, post #32: Coming back to post #30, because the follow-up matters more than the original answer. 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. Go to post

Worth separating two things that post #39 runs together.

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 #32 2.1y
EK
e.kjeldsenTL2Member11 Jun 2024#44
r.villalobos, post #23: 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. Go to post

post #43 is right about the mechanism and I think understates the practical bit.

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

0 likes in reply to #23 2.1y
LD
l.dialloTL2 Moderator12 Jun 2024#45

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 2.1y
CI
c.inglethorpeTL3Regular12 Jun 2024#46

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.

27 likes 2.1y
HB
h.bhattacharyaTL2 Moderator13 Jun 2024#47
cannula_trace, post #39: Picking up post #36: that is the part I would want checked first. 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

On post #43 — agreed on the reasoning, with one qualification.

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.

8 likes in reply to #39 2.1y
C
CSagredoTL3Regular13 Jun 2024#48

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.

2 likes 2.1y
TV
t.vargaTL2 Moderator14 Jun 2024#49
s.bruun, post #20: Worth separating two things that post #16 runs together. 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. Go to post

Two things before anyone answers the substance.

First, the context in the first post is clear and specific. Second, the question is framed so that an answer can actually address it. Both are the norm here and both matter more than they sound.

0 likes in reply to #20 2.1y
MD
methods_draftTL2Member14 Jun 2024 · edited#50

This follows post #47 rather than contradicting it.

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 2.1y
GB
g.bakkenTL2 Moderator15 Jun 2024#51

post #50 answers the question as asked. The question underneath it is different.

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 2.1y
ST
sterile_tableTL3Regular15 Jun 2024#52
ar.petrov, post #28: This follows post #25 rather than contradicting it. 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

On post #48 — 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 in reply to #28 2.1y
SL
s.lindqvistTL2 Moderator16 Jun 2024#53
da.bakker, post #40: 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

For anyone arriving from a search: the marked solution above is the direct answer, and the replies underneath it add the caveats that make it safe to use.

14 likes in reply to #40 2.1y
FR
figure_reviewTL2Member16 Jun 2024#54

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.

29 likes 2.1y
JM
j.marchettiTL2 Moderator17 Jun 2024 · edited#55

post #54 is right about the mechanism and I think understates the practical bit.

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 2.1y
RM
r.marsdenTL3Regular17 Jun 2024#56

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.

1 like 2.1y
AA
a.amankwahTL2 Moderator17 Jun 2024#57
t.varga, post #49: Two things before anyone answers the substance. First, the context in the first post is clear and specific. Second, the question is framed so that an answer can actually address it. Both are the norm here and both matter more than they sound. Go to post

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.

9 likes in reply to #49 2.1y
LM
lyophil_marginTL3Regular18 Jun 2024#58

I read post #56 twice before replying, because I had assumed the opposite.

Two things before anyone answers the substance.

First, the context in the first post is clear and specific. Second, the question is framed so that an answer can actually address it. Both are the norm here and both matter more than they sound.

21 likes 2.1y
RB
r.bruunTL2 Moderator18 Jun 2024#59

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.

2 likes 2.1y
HO
h.oyelowoTL2Regular19 Jun 2024#60

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.

9 likes 2.1y