CIF_ESTIMATE_Z(1)

✨ CIF_ESTIMATE_Z ✨

okay bestie, so this is cif_estimate_Z from the General Commands Manual — section 1, the big leagues 💅. She's a little command-line icon that does exactly one job and does it flawlessly, no cap.

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🌸 NAME 🌸

cif_estimate_Z — calculate the Z value (that's the number of "chemical formula units" chillin' in the unit cell, iykyk) using the cell volume, crystal density and molecular weight you hand her. 🔥

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🦋 SYNOPSIS 🦋

cif_estimate_Z --options input1.cif input*.cif

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🎀 DESCRIPTION 🎀

So here's the tea ☕: cif_estimate_Z calculates the Z value — i.e. the number of "chemical formula units" in the unit cell — using the cell volume, crystal density and molecular weight that you provide. That's it, that's the whole plot. She's giving main character energy with zero drama. 👑

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💖 OPTIONS 💖

• --use-perl-parser — use the development CIF parser, the one written in Perl. 🐪
• --use-c-parser — use the faster C/Yacc CIF parser. This one is the default. ⚡
• --allow-fractional-z — also output fractional Z values. Heads up bestie, those most probably indicate errors 😭, but you might genuinely need them for data checks.
• --disallow-fractional-z — treat fractional Z values as errors. This is the default. 🚨
• -c, --always-continue — keep processing and return a successful return status even if errors get diagnosed. She's unbothered, moisturized, in her lane. 💆‍♀️
• -c-, --always-die — stop and return an error status if errors are diagnosed. dramatic much 💀
• --continue-on-errors — do not terminate the script if errors are raised.
• --die-on-errors — terminate the script immediately if errors are raised. Default, and yes she will end it right there. 🙈
• --print-header — print the TSV stream header (aka the column names). 📋
• --no-header — do not print the TSV header. Default.
• --print-datablock-name — (spelled this way too, see the very next one 👇)
• --print-data-block-name — print the name of the data block and the file name. 🏷️
• --no-datablock-name — (yep, alternate spelling, next one has the details 👇)
• --no-data-block-name — do not print the data block name. Default.
• --help, --usage — output a short usage message (literally this message) and exit. 🫶
• --version — output version information and exit. ⭐

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🌈 REPORTING BUGS 🌈

Found a bug? Don't suffer in silence, bestie 😭 — report cif_estimate_Z bugs using e-mail: cod-bugs@ibt.lt 📧

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okay that's the whole page!! this was the CIF_ESTIMATE_Z(1) page out of the General Commands Manual, and if you made it all the way down here you deserve a little treat 🍓 go estimate some Z values, you absolute scholar 💜✨