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[交流]
关于提供投稿Acta帮助的提议
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虽然我不大喜欢大家投稿ACTA 期刊，特别是Acta E. 但看起来还是有不少人因为毕业等，有这方面的需要。 因此，总是有不少人来问我有关ACTA投稿中的问题， 而我对其繁文缛节其实也不甚了了， 而且其他求助已经非常多，忙不过来了。 因此我提议， 投过ACTA E,有些经验的，能否进来回复一下，并具体说明能提供哪些帮助（投稿流程，格式，画图？） 这样后来者来问我时，我把他们的问题转给你们， 使得他们的问题能及时得到解决，不耽误其毕业。 谢谢。 [ Last edited by xi2004 on 2012-3-30 at 08:40 ] |
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The Guidelines for Co-editors can be found on the journal website at http://journals.iucr.org/e/services/coeditors/index.html; click "Notes for co-editors" and then "Detailed editorial guidelines"; I am also sending these Guidelines to you at the >bottom of this message. > > >In order to make visible the changes, which I ------------------------------------------- > >5. DETAILED EDITORIAL GUIDELINES > >The purpose of this section is to promote consistency in the treatment of >submitted structure reports, and to draw attention to the points that most >often need to be checked and amended. It is hoped that this will make the >task >of Co-editors easier, and will also encourage authors to avoid common errors >and problems. > >5.1. General text > >(1) Length of lines in CIF: unimportant except must be <80 characters; >be careful not to generate longer lines when editing! >(2) Avoid hyphenation of words across line breaks. >(3) Spaces are needed after punctuation (period, comma, semi-colon and >colon). >(4) No spaces before punctuation, after ([ and before )], and before \. >(5) Paragraphs in text separated by blank lines. >(6) Common errors: >/ instead of \ >A instead of \ >^o^ instead of \ for degrees symbol >Greek letters spelt out instead of coded, e.g. sigma for \s, eta for \h >Chemical formulae in text blocks without subscripts >(7) Spelling may be either British or American but must be consistent >throughout the paper. >(8) No comment lines beginning with # inside semi-colon delimited text >blocks; they are treated as normal text! > >5.2. Title, authors and abstract > >(1) Title should usually be compound name and/or some informative brief text >referring to the nature of the compound; long systematic names are >undesirable. >Additional text such as Redetermination of; a neutron study; at high >pressure; >a strained polycyclic molecule; The first example of, is welcomed, but >Crystal >structure of and similar phrases are unnecessary. Avoid titles consisting >only >of a chemical formula. First letter of title should be capital (except for >prefixes like ortho-, trans- or dl-); no capital letters for start of other >words. >(2) Compound name (not necessarily strict full IUPAC) and chemical formula >should be in Abstract if not in Title. >(3) Any crystallographic symmetry of molecules should be stated in Abstract. >(4) No crystal data (cell parameters, space group, etc.) in Abstract unless >good reason. >(5) Abstract must have some real information content. The title compound >has >been synthesised and its crystal structure determined is not an acceptable >Abstract! This is particularly important if there is no Comment section. >(6) Avoid specific atom numbers in Abstract, which should be comprehensible >without reference to the rest of the paper. If there is a Comment section, >references should be avoided in Abstract (but OK here if there is no >Comment). >(7) Only one paragraph is allowed in the Abstract. >(8) One full forename for each author is preferred. >(9) No _publ_section_synopsis section is needed. Remove any supplied. > >5.3. References > >(1) In text sections: check correct format. If more than two authors, use >form >(Author1 et al., 1998) - no comma after Author1 name. For two references in >same year for same authors, use 1998a, 1998b. For two authors, use & >between >names. >(2) Reference list: check correct format. Alphabetical order of first >author >name. Blank line after each reference. Inclusive page numbers >(first-last). >Check consistency with references in body of paper (same authors, same >years, >no references missing or extra in list). If there are problems, ask the >author >to supply missing/corrected items, or a complete new reference list if >several >changes are needed. >(3) Software: check all references present in body of CIF and in list, with >correct format. Addresses should be city and country, but not full address. >References required also for absorption, extinction, and absolute structure >procedures if used. >(4) References are not needed for scattering factors from International >Tables. > >5.4. Experimental > >(1) _publ_section_experimental should be not used; instead, two separate >sections _publ_section_exptl_prep and _publ_section_exptl_refinement should >be present. >(2) _publ_section_exptl_prep: either full synthesis details should be given >(quantities of reagents, reaction conditions, recrystallization procedure) >or a reference to the method published elsewhere (this is strongly >encouraged, >though not compulsory). Other characterisation data (chemical analysis, >spectroscopy, etc.) may be included. >(3) _chemical_compound_source should not be more than a few words; 'see >text' >is appropriate if details are in _publ_section_exptl_prep. >(4) _publ_section_exptl_refinement: routine structure solution and >refinement >procedures are not needed and should be omitted. Comment belongs here for >treatment of disorder, non-standard data collection or refinement, etc., >including use of constraints and restraints. Particularly useful if there >are >checkCIF alerts to be explained. >(5) No experimental details (except special cases) in Abstract or Comment >sections. > >5.5. Atom and geometry tables > >(1) Sensible atom names (including H atoms). >(2) No parentheses in atom names. Atom labelling needs to be consistent >in all tables, text sections, and Figures! >(3) Sensible order in lists of geometry. >(4) All geometry involving H atoms should preferably be included (but not >flagged for publication); this is required if H atoms have been refined >rather >than constrained, and in such cases, the range of bond lengths to H atoms >should be stated in _publ_section_exptl_refinement. >(5) Check consistency in number of atoms and chemical formula (checkCIF). >(6) Even though space restrictions are not important for electronic >publishing, >and full geometry is available to readers, sensible selection for the >html/pdf >versions should still be made. Avoid symmetry-equivalent items in the >selected >list. >(7) There should be no su's on H-bond geometry involving constrained H atoms >(D-H, H...A, and D-H...A). >(8) Coordinates of constrained H atoms should not have more decimal places >than >refined coordinates; similarly for geometry parameters. >(9) Numerical results quoted in text sections should usually have su's, >including torsion and dihedral angles. > >5.6. Number of decimal places > >Adjustment of number of decimal places is now done in the production of >the final publication so it is not necessary to make these changes in the >CIF. >The section editors will act as a final check during proof-reading. The >following adjustments are made: > > Formula mass: 2 (i.e. _chemical_formula_weight) > Calculated density: 3 (i.e. _exptl_crystal_density_diffrn) > Wavelength: 5 (i.e. _diffrn_radiation_wavelength) > Theta ranges (cell and data collection): 1 > (i.e. _cell_measurement_theta_min and > _cell_measurement_theta_max and > _diffrn_reflns_theta_max) > mu (in mm-1): 2 (i.e. _exptl_absorpt_coefficient_mu) > Transmission coeffs: 3 (i.e. _exptl_absorpt_correction_T_min and > _exptl_absorpt_correction_T_max) > Crystal dimensions: 1 or 2 depending upon apparent precision > (i.e. _exptl_crystal_size_max, > _exptl_crystal_size_mid and > _exptl_crystal_size_min) > R values: 3 (i.e. all of _refine_ls_R_factor_obs > _refine_ls_R_factor_gt > _refine_ls_R_factor_all > _refine_ls_wR_factor_all > _refine_ls_wR_factor_obs > _refine_ls_wR_factor_gt > _refine_ls_wR_factor_ref > _diffrn_reflns_av_R_equivalents) > Goodness of fit: 2 (i.e. all of _refine_ls_goodness_of_fit_all > _refine_ls_goodness_of_fit_obs > _refine_ls_goodness_of_fit_gt > _refine_ls_goodness_of_fit_ref) > Intensity decay: not more than 1 > (i.e. _diffrn_standards_decay_) > Shift/su: 3 (i.e. _refine_ls_shift/su_max) > (If after rounding we get 0.000 put as < 0.001) > Electron density extremes: 2 > (i.e. _refine_diff_density_max and > _refine_diff_density_min) > Cell measurement temperature: not more than 1 > (i.e. cell_measurement_temperature) > > > > >5.7. Commonly needed changes > >(1) Space group symbols: use correct CIF-defined format, not SHELX style, >e.g. >P2(1)/c should be 'P 21/c' and Fdd2 should be 'F d d 2'. >(2) If no measured density, setting for method should be 'not measured' and >setting for value should be ? >(3) checkCIF may indicate rescaling of transmission factors; if absorption >corrections are not made, the transmission factors should be set as ? and >not >numerical values. >(4) Reflection observation threshold is often given as '>2sigma(I)' instead >of >'I>2\s(I)': note need for I before > and correct use of Greek symbol. >(5) Number of standard reflections and intensity decay are usually both zero >(0) for area detector data collections; these are often left as unset (?) by >authors. >(6) Treatment of H atoms in refinement: 'mixed' is default of >SHELXL-produced >CIF's regardless of actual treatment used, and is often incorrect: in many >cases it should be 'constr' instead. >(7) Weighting scheme formula: remove meaningless terms such as +0.00000P and >trailing zeros on all numbers. Ask author for an actual formula instead of >expressions like 'based on sigmas' or 'counting statistics'. >(8) With residual electron density peaks of significant size >(usually >1 e/A^3^), there should usually be a statement of their position, >given in the _publ_section_exptl_refinement text. >(9) Extinction coefficients <3sigma are insignificant and should not be >given. >(10) 'Absolute structure': remove any full literature reference from the >experimental table; it belongs in the reference list. Somewhere there >should >be a statement of how Friedel pairs have been treated and whether the >absolute >configuration of chiral molecules has been determined by this experiment, >assumed from the synthesis or other information, or is arbitrary for the >structure as reported. >(11) Watch out for cell parameters (and other values) with a final zero >digit >and an su of (10). Usually these zeros are spurious inventions of the >software >for generating the CIF. Ask the author for clarification, e.g. from the >original diffractometer output. >(12) Paragraphs in the text should be separated by blank lines. > >5.8. Graphics > >(1) Check the scheme (chemical formula diagram) for agreement with the >overall >formula. All entities should be present, including counter-ions and >solvent. >Avoid unnecessary detail, e.g. fully drawn phenyl groups instead of PPh~3~ >for a triphenylphosphine ligand. Charges should be given where appropriate. >(2) Although structural Figures are not compulsory, they should usually be >included. Ask at least for one Figure showing the molecular structure with >displacement ellipsoids and all unique non-H atoms labelled. It helps if >the >orientation is not completely different from that of the scheme. Figures >should be numbered, and referred to in the text sections. >(3) Check the figure captions. Percentage probability levels must be stated >for ellipsoids, and omission of any atoms (including H and minor disorder >components) noted. There must be a caption for each Figure. >(4) Atom labels and any other text should not intersect any atoms or bonds, >and >should be large enough to be clearly legible. >(5) Stereo figures are not particularly useful in an electronic publication, >as >they will not be a fixed size. >(6) Colour is welcomed, but it should have a purpose, e.g. distinguishing >different atom types; this is particularly useful for ellipsoid plots, where >there is little other available mechanism for making the distinction. > >5.9. Nomenclature >Chemical compounds should where possible be given their full name according >to >IUPAC rules. Although this is checked when possible by the editorial staff, >correct naming of a compound is the author's responsibility and ideally >should >also be checked by the Co-editor and referee(s) if used. Other points of >nomenclature should be as in Notes for Authors. The encouragement of the >correct use of bracket notation for planes, directions and forms is welcome. >Unusual abbreviations should be explained in full when first used. Authors >should be asked to supply notes on any nomenclature or usage which is not >common in scientific journals. > >5.10. checkCIF alerts >Level C alerts are not usually a problem. Some level B and all level A >alerts >need to be investigated. Authors should be encouraged, and in some cases >required, to provide information in the text sections (usually in >_publ_section_exptl_refinement) regarding these problems, even if they have >not >supplied VRF responses. *.* I also wanted to ask you and call you to possibly >correct once more your cif in this regard, that how is it possible that the >reported transmission values from your cif (Tmin/Tmax values) are fully >identical with the calculated ones? Experinece says that these never fully >agree to the 3rd decimal as it is your case. Look up in your files the values >calculated from your experiment, check them that they do not deviate more >than 10-15% from the calculated ones and replece them in your cif. >Subsequently try to upload this cif or send me in a mail. [ Last edited by brilliant on 2012-3-29 at 23:09 ] |
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简单回复
2012-03-29 09:37
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xi2004(金币+1): 谢谢参与
送鲜花一朵
送鲜花一朵
2012-03-29 09:49
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xi2004(金币+1): 谢谢参与
jm0078楼
2012-03-29 10:39
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xi2004(金币+1): 谢谢参与
zhang731112楼
2012-03-29 13:19
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xi2004(金币+1): 谢谢参与
祝福
假大空13楼
2012-03-29 13:44
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xi2004(金币+1): 谢谢参与
hao52114楼
2012-03-29 13:44
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xi2004(金币+1): 谢谢参与
zhaoeager15楼
2012-03-29 13:57
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xi2004(金币+1): 谢谢参与
祝福祝福
28524653616楼
2012-03-29 13:58
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xi2004(金币+1): 谢谢参与
hifishm17楼
2012-03-29 14:02
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xi2004(金币+1): 谢谢参与
ts_chenchao18楼
2012-03-29 14:17
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xi2004(金币+1): 谢谢参与
liuyigeba21楼
2012-03-29 17:49
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xi2004(金币+1): 谢谢参与
ts_chenchao24楼
2012-03-29 22:46
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yesyesno26楼
2012-03-30 00:17
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xi2004(金币+1): 谢谢参与
11金刚27楼
2012-03-30 00:39
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xi2004(金币+1): 谢谢参与
送鲜花一朵
送鲜花一朵
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2012-03-31 22:54
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xi2004(金币+1): 谢谢参与
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2012-03-31 23:42
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xi2004(金币+1): 谢谢参与
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2012-05-13 11:24
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xi2004(金币+1): 谢谢参与
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2012-09-27 19:37
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xi2004(金币+1): 谢谢参与
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2013-01-13 09:07
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2013-01-14 22:56
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xi2004(金币+1): 谢谢参与
