THE WISH LIE IN NATURE : MANTID !
The truth of present ISIS Single XTAL program, is intimateley related to the high risk taking « SUCCESFUL COMPUTING DVT » of the ISIS Mantid Project started arround 2008… It’s remarkably coincident with the developement of Pan-DATA, an European funded Project meant to resolve the new arising problem of Scientific data Storage/Share & Use by an (Excessive and not required in Neutron Scattering?) STANDARDISATION associated to IMPOSED GUIDELINES for Data Reduction/Analysis that turn out to fail coping with their original « ecompassing » aim, at being usable on ALL Instrument : for SINGLE X-TAL DIFFRACTION (and INS btw), THIS MAY BE A KILLER !
… NAMED in the site ! Which do not show well how Pan-DATA was born from the coincident developements of MANTID (essentially, an ISIS project) and DAWN (ESRF) – BIG COMPUTING PROJECTS lead with AGILE dvt -type PROJECT MANAGEMENT : but in Large Sacale Facilities, INSTRUMENT DIVERSITY is very large, so Lage that Pan-DATA kind of served as a PLATFORM for a DUAL (& subttle) PUBLICITY for ILL-defined Projects to start with that would show their Limits one day or another ! AGILE (Methodologies imported from the BUISNESS world having far more resources) is NOT adapted to Academic Scientific Computing !
And this Nature is a rare example of work which, by not admitting the TECHNICAL DISCUSSION above, lead to publish a paper which is 0 % Scientific, and 100 % POLITIC litterally covering up decades of COMPUTING LIE associated to an overstated (for a strategic future !) Instrument capability ! Completely inacceptable ! It’s a hidden call for instrument developement part of ISIS’s long term Mantid project, meant only to serve as publicity for internal UK Political pannels to get money for what I belive to be a insane attitude of using Nature as plateform for Large Scaler facility dvt (needing an international review !) as the ILL may closes in about 10 years.
This nature litterally expose the « UGLY POLITICS IN NEUTRON SCATTERTING » mentioned here ! Looking for a « New governig body for Large scale facility crystallography ». It announced the new governing body lurking... at the ESS ! THE MANTID wants to be that governor, and spreat on all instrument there like it did World Wide ! The UK WISH Manager are already planning TO SELL their past Project Management WISH experience. And that inclued the (super lucrative) INSECT, born together with the WISH Project as a more general Data analysis meant to giving a « coherence » to Computing facility dvt (THE mantid Project).
The paper is litterally « inserting WISH » not telling it comes with its not yet ready MANTID (for crystallography) to lurk at a new « market » for the future of a KEY Neutron diffraction technique for Fundamental Reasearch (not a priority, for user operations) : dominating the Brain of its own conceptors (Kafka « Metamorphosis » into worse than a Crookroach : a Mantid !) blinded on the FACT it became an incapable Monster, for the task ! Time for Kafka’s « Trail » !
The Nature Story of the fake « qauntum » material is fabricated to sneak in the WISH lie, which hides the fact that from a « USER » point of view, the present status of the WISH + MANTID project for « the technique of magnetic structure determination from single crystal diffraction » is « unfeasible », its developement stopped and new developement embryonary.
All that is in fact therefore a FAKE PUBLICITY, LOBBYIBNG for MANTID/WISH motivated by the abscence of Vision of the ESS, and the fact in Eurpore, the only place where that technique had a CONTINOUS DEVELOPEMENT » supporting a descent « USER PROGRAM », is at the ILL, that do not seem to have much contact with the ESS on this ! And that applies to all Polarisation analysis ! Ross Stewart recruited form the ILL to develop them in ISIS, never managed to get anywhere and he is co author as well !
A NEW QUATUM MATERIAL : REALLY ?
The Science that it contiains is indeed by definition/Methodology no more than a « Mundaine internal Neutron Scattering interest », looking in the subject of « frustrated magnetic pyrochlore » trying to find ways to describe better how much a HUGE 7/2 SPIN in essence Classical system (i.e which by definition makes its inclusion in the « quantum material » branch of Nature fishy ! ) can be described. In contrary to many other Pyrochlores « spin ices », it does not host any fancy « emmergent » phenomena or concept, which makes Pyrochlore so popular since the « emmergence » of Monopoles around 2008...
There is no application, it a purely technical challenge pushing the limits of the Neutron techniques as there is coexistence of disorder and partial (yet classic, I insist) order. The justification of publication in that Branch of nature is a connection to Skyrmions through « k-vectors », but it’s ONE sentence, so vague, that it’s a joke ! There is strictly no Science : THE LATE INCLUSION OF THE WISH experiement, is containing the most VISCIOUS « Facility Buisness Lie », regarding the WISH instrument True/Real Capability, meant to be SOLD to the ESS as a Realty that has high risk to remain a Dream, forever !
SUPERMAN’s (SM) AND SUPRESSED MAN (SM) PRESENT DUALITY :
LITTEREALLY MADE QUANTUM (scientifically) DEAD & (yet) ALIVE ! & KICKING !
That Lie is COVERED up, by the apprent fruitful, world wide collaboration of experts on the subject, not seeing how the WISH SX Lie PROMOTED FROM/WITHIN the Journal’s editorial board containing the Two Original WISH project managers formed by ISIS BIG BRO Source of their present fame & tenure track position : The Dimond Dog PROPULSED at the TOP argone APS source direction, and Dar Vador Oxford Professor (both becoming DUAL RX/NEUTRON managers!), who both made their SCIENTIFIC fame (in Multifferoic) essentially and exclusively relying on Powder work in ISIS by first popularising the FullProf (ILL-hosted) Rietveld refinement of incommensurate magnetic structures on GEM and later on WISH...
….BUT making when they were in ISIS, all the SINGLE CRYSTAL work they needed for their Science programm at the ILL -as USERS (eg here, with the SUPERMAN they recruited), whilst (more confidentially within ISIS) trying (managing) to develop a « small molecule crystallography program » (mostly, with the highly desired aimed to do magnetic refinements « comparable » to what at the ILL, and maybe justify in ISIS a « similar » USER PROGRAM).
MAKING UP THE WHOLE FIELD OF QUATUM ( ?) MATERIAL BY DEFINING…
THE CONCEPT OF DUAL QUANTUM MANAGER… WITH EYES ON THE ESS !
This article, is litterlaly the ISIS WISH Manager CONFESSION as Editorial Boiard members, of the instrument capability in Magnetic Diffraction: « Ugly politics » taking profit (in the sense, taking the piss!) of ALL what’s « ugly » (within and between Sources) regarding Neutron Crystalllography, facts in fact everybody knows but which ugly management makes TABOO : Neutron Sources crystallography is split by technical differences, between the choice of using Time of Flight (TOF-ISIS) or Constant Wavelenght (ILL) source in groups runing both POWDER and SINGLE crystal programs and importantly for the discussion that will follw, which the newcoming ESS « long pulse » can chose : and the Nature is a disguised UK Ruled Policy IMPOSING that choice, UNLAWFULY, preventing to discuss other cheaper, already operational option to Monochromatise and import ILL already fully operational and MATURED Computing developement of SX analysis, the CORE STRATEGICAL PROBLEM, here!!!
The impossibility to make such simple proposal because of ISIS, certainly exploits the abscence of vision of an ESS management thinking its design makes it Sister of ISIS and Replacement (?) of all the ILL Neutron expertise (?) so that the ILL has less to bring : search the KEY WORD ILL in this Publication ! You’ll find TWO instances !!!...
ESS MUST NOT follow ISIS WISH management ideas & make (« ISIS buisness » minded) mistake to cautiously plan POWDER beamlines like DREAM, make a MAGIC POLARIZED bemline and do ALL to tuen around the bush of SX-tal diffraction whos output in all Neutron sources is a matter of UNTOLD/TABOO concern ! It is a FATAL error, if ESS plan (dream!) that the WISH example can be followed, wrt to SX diffraction… without investing more seriously its success/failures in TOF/CW sources, SM work that even if it is know as being a rather « more risky », it is sometimes ESSENTIAL to Fundamental reasearch, and that requires POLICIES that distinguish better this type of Reasearch (highlighting how it pushes instrument capabilities) from eg the other extreme Science case of POWDER « routine characterisation », which can be operated like a « USER » driven SERVICE/BUISNESS.
Like in a rock band, Singers have far more fame than drummers that also need more practice (making their job much less attractive and rewarding, yet essential !) : the SX diff guys are like the drummers, when the Powder diffraction guys simply sing, which is much more easier For users and « facility buisness » to advertise ! The finalisation of an POWDER experieùent , is about 10 times faster tahn a SX analysis, as it benefit from the WW succes of Ritveld codes, whilst SX is in comparison horrendously more complicated, in general and all Neutron Sources deals the two the same way (as the following rules of the same « user » program) ! In this data analysis context, TOF Sources prove to be better and more efficient at running powder program as it enable resulutions (eg HRPD in ISIS) or signal/noise (WISH) that you cannot obtain at the ILL.
That fact however (mainly due to ISIS agressive advertising pretending its CRY group POWDER program is making it more powerful than the ILL, which is true but unfairly too « loudly » said, hindering its SX lies and internal contradictions !) combined to the more confidential nature of the SX Facility output known to be poorly effective, have prevented any mature debates to improve the situation by propoer ILL/ISIS collaboration in SX-diffraction (that in this area, never existed, excepted benchmarks the dismissed SM did!), an recognise first and to start wih, that for SX it is the reverse way around : CW source are (still!) miles better than TOF machine and there is here an extremely dangerous lack of recognition :
as a reults, the overlook lead the STFC to again sort of EXPLOIT the ILL without return…. by runnig the UK neutro operation (with PRIVILEDGE access to the ILL!) to VERY UNFAIRLY never ever admittinbg how much the ILL signgle crystal diffraction program is outstandingly more mature (in terms of a user program) than what’s done in ISIS with the TWO - SXD and WISH ISIS beamline, where « magnetic SX diffraction » capability has in fact never been demonstrated in practice in spite of plans to develop it dating from 2005 !
THE ISIS FAILURE OF SX PROG PROVES ISIS’ PRIDE, ITS « BUISNESS » MODEL CAN’T BE APPLIED TO NEUTRON SCIENCE (NOT A BUISNESS!) ANYMORE!
The developement/comparison of the long term developement (internally to ISIS), made invisible to USERS/OTHERS, is that ISIS lets One instrument scientist (Gutmann, on SXD) Sustain (for how long?) the maintain of DINAUSAUR SXD2001 IDL/fortran code and a slowly built user base (which kind of works, thank the enormous GENEROSITY of matthias Gutman for making that way an « ersatz » of USER TOOL : it has all what’s needed in, but the « GUI ergonomy » puts off users and Matthias is doing all the SX DATA REDUCTION with in practice what’s the most unfriendly SOFTWARE that in fact failed, from the « USER prog » point of view : it cannot be used outside the institution to do what SX work often require : iteration of the DATA REDUCTION/ANALYSIS in a standalone manner!
This internal contradiction (also associated in ISIS, to a « publicist » tendency to favor all TS2 instrument over old TS1 instrument, as demonstration of ISIS BIGBRO DOGMA, that of a UGLY BUISNESS UK director motivated by WORLD WIDE dominance in everything, including qhat he cannot do ! arrogantly calling a NATIONAL Source a World Class facility that managed to BLIND the ILL for decades on these issues that are still problematic these days ! ISIS BIG BRO is the man who imposed « the BUISNESS FACILITY MODEL » associated to that DOGMA, forcing other to copy him, internally provoking unsutainable incoherences in the developement of a « decent » SX program in ISIS.
ISIS model is restricting facility operations as a Service mainly, preventing Academic help of facility developement by its free source of manpower : the user base ! Because it provides Services like a company preventing agreement of need between user & Instrument Scientists asked (like in a comapany) sometimes embarrassinlgly forcing instrument scientists to lie on « what they sell », using the publication output to prove it achives the Goal, proving the DOGMA valid and that Inovation indeed drives Scicence advance all selfishly, NOT driven by Academic quality, but solely for the Fame of the Facility (a facility exploiting the fragile nature of the Neutron world, and refusing to maximize CONCERTED effort, or defined CW/TOF complemetary USER PROGs, insterad of pretending to be a WINNER in all matter, controlling emulations that are in fact disguised competitions ISIS is the best at playing with beacuase of STFC dual ISIS/ILL management : DUAL Seductive Matahari role of THE MANTID-VIPer at SAC/ILL Meetings for years ! Whilst Dark Vador is now advisor in the ILL scientific council (for his « Quantum matter » fame, a politic whose aim is DOUBLY tell to the whole world wide « see ! How obvious, how powerful our instrument : not only we are the best, we can help you ! but we can also bring science programs » comming with it, infiltrating all other Neutron Sources bodies with an attitude pretending that Double technical/sciezntific Power makes of them best Advisors, when that’s always « behind the smiles » to Spy other Sources’ Science cases to bring them back an internally boost ISIS facility developement and prove ISIS can do the same, better, without any form of Academic respect & or giving back what’s taken from others, never!
ISIS knows internally the limit of this politic. It has considered in the past other models, like that of the very modest French Source LLB (hosting PhD in the facility where they contribute to dvts, using doctoral centers to orient well youg people to the LLB or ILL etc...) and that way, made alsdo outstanding (true avademic) Science contributions in Magnetism/Superconductivity in particular, hence, with a proven better use of (human!) ressources.
The ultimate/archetype example of this approach, has been the SOLUTION in 2002 of the symetry of the Ground state of MAJOR importance for Superconductivity (the CE state of manganiytes) which unfortunately became the Scientific Subject of years of « contrversies »… that rised the « interest » (for recuperation/falsification!) of the ISIS INS group, who took control of the Subject EXCLUDING the ILL where it was born, a Story that maintain a « made up controversy » authorizing the fraud to continue forever (?), with arrogance & pseudo-superiority and authority, cutting the tongue of dismissed SM (?) !
QUANTUM MANAGEMENT LEAD REAL MATERIAL TO BECOME « QUANTUM », MAKING THEIR UNDERSTANDING SCIENTIFICALLY OR POLITICALLY DUAL !
Studies of the Manganites so called CE-type ground state indeed demonstrate how in comparison with the Pyrochlore chosen in the « Political Nature Quantum material », the whole philosophy of « ISIS facility dvt » leading to « quantum management » is WRONG ACADEMICALLY, dangerously killing its spirit, favoring within Neutrons fraticidal wars instead of synergies endangering Neutron World, drowned in an unwanted Game a BLITZKRIEG wars lead by ISIS BIG BRO rather consciously since about 2009 : these two Subject taken together, litterally summarize as is :
In the manganites, the Original verification of the Goodenough Model still constituting today the accepted « Radaelli Model/Symetry » (with Synchrotron powder diff), has been disputed by SM PhD which provided an different model/symetry that Radaelli (& subsequently most of the Manganites community) never admitted explicitely to be outsandingly superior ILL SX diffraction solving the issue of Crystal twinning on a material that however, had not exactly the right composition. As a result, two models had been set in WW competion, but their discrimination is I belive (due in ISIS to VADOR’s self-censorship, exploited withn ISIS by INS who killed the Subject with their fraud) still not admitted to be impossible with POWDERS in spite of decades of reasearches, ESSENTIALLY BECAUSE OF ISIS Mnagement Self-denial of SM’s ILL.
The gain of doing the SX work is enormous, but not recognised, the PRL shows that in dull Fobs/Fcal plot that constitute SM whole 3 year PhD (State of art, including Quatitative Twinnig fraction refinement) the community may not fully understand, why it is so UNIQUE ! Key superstructure peak intnesities masked in ALL powder data, gets measurable (~800 in SX, instead of max 20 which is 40 times more info) : the structure refinement, unstable and ambiguous with powders, becomes unambiguous, but in spite of all this...
Retrospectively in ISIS, VADOR was interested only and solely in SM Potential Technical input (computing), but mid 2005 when SM arrived, in the F95 Modules developped by his PHD Boss JRC@ILL, the Crystal tools where in infancy at the time (started to mature from 2010, see the time scales !!). SM could not cope between the lenghty data analysis with matthias Gutman SXD2001 software (spending easily 2 times more if not mire than him, to use it).
In addition, there was the pseudo-colladoration with Toby Perring on SM PhD problematic, with the most complex ILL SX work to do ! In this context, SM implicitely and early REFUSED to start all the SX software developemnt from scracth, and tried instead a more modest automation of what Matthias was offering (unsupported).
That TECNICAL/GEEK challenge (instrument developemnt or computing), is like a ritual when you enter in ISIS, and if you don’ pass it, your Scientific management is also doomed (only highly performing technical instrument scientists men succed in ISIS whilst… girls that generally don’t code ... are used for doing Politics! Impressing guys (like SM!) who don’t code so well not coping well with the multitask aspect of the Instrument Scientist life, and lacking of focus on their computing dvt… The whole Management turns around COMPUTING, NOT SCIENCE !
Such computing management, made DUAL in ISIS (because it’s strongly correlated to an EXTREMELY strong yet VERY CONFIDENTIAL support of Quantum Computing in the UK!) has set the SM in a double Competition with the ILL Single Crytal diff program : by the CRY group, asking him to develop the « mag SX diff prog » , and by the INS group, who took profit of the failures on the other side : 10 years of total manageent non sense, on a crystal having the right composition (UNIQUE IN THE WORLD!) ending up with a FRAUD in APS that include so ugly PRIVATE matter it’s covered up in shame, silencing all the Neutron World & the Sample provider forever (?).
ISIS management made the POLITICAL decision of DENYING the final verification of the symmetry obtained at the ILL in march 2013, by publishing INS lies favoring TOF techniques mid 2016, fraudulously DENYING the proven new model, by falsifying ILL results after dismissal of the SM ! A BLUNT SCIENCE LIE result of having made of a Fundamental reasearch a stupid instrument/Sources deadly competition meant to prove ISIS (INS) better than the ILL (CRY) by simply deniying ALL diuscussion, with authority, to lie and to make MATHEMATICAL/ CONCEPTUAL mistakes in complete autonomy ! If we were at school, this paper would get a Pointed Zero, for mark !
This SHAMEFUL paper, a sort of « Scientific Rape » that EVERYBODY refuse to care of in the neutron world all afraid of FEARS and SCANDAL thinking it’s a science that’s not so essential it can be burried… whilst there is no way to get APS editors informed this is possibly the most important work on High Tc relateds strongly correlated problematics ever done for 30 years !
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Victim in fact of A QUANTUM MANAGEMENT MURDER of the Subject, leaving the CE-type Ground State in a half true/half false QUANTUM STATE which litterally politically made the Undersdtanding of the Material Quantum Superposition of Published INS lies and unpublished ILL results that nobody want to accept to be superior (like in the past, on the off stoechiometric PhD sample), even at the ILL, this time because of scandalous and dirty affairs and manipulation of the victim !…
This is an example of local « Quantum Management » Scientific Fraud burrying in the PAST the essential ILL results of SM secretly killing Fundamental Science ! The new Quatum Material Nature, is its Global version, a « Quantum Management » Neutron Policy Lie jeopardizing future a whole « user programs » in SX diffraction ! THAT cannot be burried, I Hope !
THE TURNING POINT ! WHOEVER SUPPRESSED SM IN NATURE, SAVED HIM!
SO THANK GOD, I CAN RECALL IT TURNS OUT SM WAS AUTHOR HERE, SO HE SHOULD HAVE BUT HAVE NOT BEEN CREDITED AS AUTHOR IN THE PYROCHLORE NATURE, for his contribution to the HRPD supplementary informtion, which brings a FRAUD HIGHLY VISIBLE in this nature, mirror/corroboration of the HIDDEN fraud in the manganite paper, much harder to prove, because it requires a Specialist’s debate no one dare having ! So now...
If ISIS want to be consistent with the double lie that it made (on fraud on Manganitge & political recuperation of the pyrochlore), THAT MANGANITE paper (a Scientific error, associated to a insult by ISIS-INS blinded by the WISH-Management, of the ILL Single Crystal diffraciton!) deserve more publication in your Nature « quantum material » paper, than the « Canonical Pyrochlore » (i.e the most Classical Archetype Frustrated Material, that becomes very frustrating indeed !!) chosen only because it is so complex, that the Quantum-management of the future of the ESS crystallography program can be « inserted » as a WISH making « advance » (not solution) of its (unproven to be interrestingly too much CLASSICALY Degenerated) Ground state ?
… and reversely, that Nature on the « Mundaine Pyrochlore », should be put back & « dowgraded » in APS Phys Rev journals to recognise how little Quantum and how annecdotic is the SX work in it : being mainly qualitative it is used to rule out the «4-k » model amongst the 4 « n-k » models considered. But the Science narrative of all the rest of the paper, hinders how INSANELY degenerated is this sytem compared to the 2 model in the CE-state, how hopeless it is to improve analysis of powder data when you know how subtle it is to distinguish only 2 competing model, in the case of the CE-state of the Manganite require SINGLE CRYSTALS, whose diffraction rooted problematic is STOLEN by ISIS INS, and litterally covered up by a « computationally intensive » POWDER spin wave analysis in fact useless given the model degeneracy !
In the pyrochlore, « getting/finding » the Ground State is a waste of efforts (that may be forever …) not only incomplete, but have the Scientific impact solving the most complex Sodoku can have : Symmetry AND moment constrains are overlooked in a narrative too complex to be checked, in ways that I belive, cannot be proven to reach completeness exploration of « MODEL DEGENERACY », as in the manganite, where ther was only two models/symetries/expected magnetic structures, and ISIS INS decided... to published the wrong one just to take the piss at the ILL, without any Scientific reason, just for instrument (TOF-INS) publicity !
In Nature, WISH project manager use the Journal editorial board AND Nature Impact factor, as a new platform for « hidden » call for « facility dev » grants (WISH develepoemnt, associated via the Journal, to « quantum matter ») that should go trough this type of official « platform Grants, for Quatum Material » ? A story of DUAL Scientific/Technical dev taking it’s source in ISIS that stinks !
SX PEAK INTEGRATION : A HIDDEN SXD/WISH « SX CAPABILITY » ISIS WAR
…yes, Safety issues & high absoprtoin ! explains why single crystal diffraction is so rarely attempted on the pseudo-Nature « (not ) quatum (at all!) material Pyrochlore », compared to POWDERS. As a result, the article summarise decade of world wide collaborations that are essentially POWDER investigations (a classic cake), topped up (like a Quantum Cheery) by a « political » WISH Single crystal experiment bringing very little Science, PROVING ISIS is indeed best at powders, hidering why the WISH’ inclusion provides no quantitative analysis, but is an « acrobatic » heavy sample experiment that transformed the WISH instrument scientist into a MANTID castrated Monkey climbing Magnet, using that Hypnotising dance in fact to hide you the UGLY FACT that ISIS will certainly forbids him to admit : that he can barely « integrate » Bragg peaks from WISH experiments SINCE 10 years, and that is why here, he is restricted to show only qualitavive Bragg peak profiles changes under Field hence, making a doubly Complex experiment – that of the Scientific complexity (large model degeneracy) of the problematic, and the Technical complexity of a non « std » Experiment using heavy sample environements, which together make a Classical Magnetism Science/WISH Dream Purple-pink Haze (WISH has a pink color, as explained in the end!) hidding the political intent, within a OFF SUBJECT « Quantum material » Journal !
In a talk presented in 2019, the WISH team was awaiting for « k-vectors » in MANTID workspaces for ex, asd proposed by Vicky (a Spanish molecular spctroscopist, talking of a Spanish Magnetic diffraction expert knowledge in palce of the « specialist ? » WISH instrument scientist???). It’s required for the « ‘SX mag program » used to index « statellite peaks » from main « bragg peaks » in Magnetic diffraction, or in the study of modulated structures and in the talk, only one standard crystal structuer refinenement is shown.
Where is that dvt now ? Are prop vek there now and if yes, how long it took to come in ? « k-vectors » and satellite peak integration were « sort of in » in SXD2001 (which was however confusingly distinguishing Structural & Magnetic propagation vectors), but tweeking could provide files for refinements… Has this stage been reached in ISIS ? I doubt ! Proof MUST be sown ! TOPAS at SNS-ORNL uses Mantid : its very low Publication output is reflecting very well enormous difficulties, in dealing with Scientifically interesting cases eg incommensurate structures also requiring the handling of « main peaks » and « satellites » : like if, SXD2001 experience is completely ignored...
Because here is a recall, of the dismissed incapable SM ISIS contribution (2005-2008), before the Managers move him on High Resolution Powder diffraction (HRPD) : the High Profile SXD PRL paper showing the state of « Magnetic Structutre Refinement » the only published « REAL USER EXPERIMENT » to my knowledge (where SM was not co proposer but only Instrument Scienctist) whilst I bet, the WISH work in the Nature paper on the Pyrochlore was a collaborative ISIS/Authors proposal – that should not go through USER pannels, but Director Discretion Time !
...another contradiction, with HRPD – that should have gone through pannel because unlike co-author, SM demonstrated distortion is unjustified using alternative analysis (size strain), the 1st draft narrative all based on disputab le « chi 2 » relied on the existence of a observed distortion... ! The abscence of distortion is actually the most important result of the paper mking all analysis/discussions based on PWDERS either too difficult, if not pointless ! If there are no cubic distortion, the only solution (according to experience on the far less degenerate CE-type variants, 2 models to be tcompared), is QUANTTITATIVE SINGLE DIFFRACTION I’M AFRAID, WISH GUYS : if it’s not too absorbing, go@ILL! Or you already tried, and failed… Hopeless resaerch, hopeless System, meant to advertise what WISH can’t do !
A WISH Nature Joke, compared to the SXD PRL without POLITICS at the time (the help of a complicit editorial board), contianing a Refinement, result of three year internal effort to be a bit serious in comparison to the ILL ! which have in common with the Nature paper... the presence of a UK ISIS USER (Oleg Petronko ! Who should therefore understand well, getting in Nature is not a gain !) if that hides a « USER program that never really existed in ISIS : it’s been all time AN ADVERTISEMENT still under dvt, that was a time serious on SXD, but aprently became a (Mantid) Joke on WISH !
That PRL is publishing honest Science/Collaborations part of the same ISIS management of a « Single Crystal program in ISIS» which simply KILLS the Nature « quantum material » that’s pure Joke (only Politics), and the two article together forms the POLITICAL QUANTUM STATE of the state of the art of the « Mag SX in ISIS » whereby WISH seems to loose what’s learned and/or possible to do on SXD !
And that QUATUM STATE need to be « mesured » by (classik!) Neutron Advisory Boards, to see if it does not collapse in SXD, as Winner of the ISIS SX mag Prog ! The Nature litterally advertise a WISH+MANTID Donkey that can’t Fly, compared to a BEATLE SXD + DINAUSOR CODE that could at least make few Hops, and harvest few Magnetic Bragg peaks the rotten Garden of ISIS UK X-tal Reciprocal Spaces ! The Mantid cannot Harvest, what the Beattle could, about 30 peaks…. How much on WISH ?
I’m sure WISH never bechmarked anyting with the ILL, and I bet WISH has not BENCHMARKED that with SXD neither which is the inner KILLER showing the incapacity of SX guys on SXD and WISH to collaborate ! Hindering to all, a « split » management of the too beamlines not talking the same computing langage (never seen a code from the WISH guy BTW, Mantid Python API are not Goodenough : you need to get your hand dirty in the MANTID’s C++ Mind, which restrict’s the WISH scientisdt to be MANTID tester !) , or because there are communication problem related to Matthias, preventing any of his co-instrument responsible mate to ever collaborate with him in ISIS except… with SM ! Hi Matthias, underrated Hard Working savior of the SXD SX program ABANDONED by the WISH managers ! You’ll be (soon surely proclaimed!) King of the SX-ISIS Prog thanks SM! Thank you and integration tools you provided but that WISH obviously cannot provide !… in this Nature insulting past revelation of...
Mother Nature ! EXTINCTION is TOF-SX KILLER, WISH KNOWS THE “SCARY PLOT”
Indeed, even if the WISH INSECT talking the wrong Language ever achieves the same Goal reached on SXD (refinement!) in reasonable data analysis time, THE FINAL KILLER of this « facility dvt » in fact started in 2005 is naturally anavoidable … intrinsitc & natural & Sample dependant problem preventing to achieve the decent SX program that the ILL manages to run : that’s Single crystral EXTINCTION mentioned in the WISH team talk mentioned above as the « Scary Plot » with the famous german expressionist picture of « the Scream » : it is scary indeed because it is a source of worries that the use of the TOF technique induce requiring a level of data redudancy that has never been carefully addressed, redering the whole aim cumbersome IF NOT UNPRACTICABLE, COMPARED to the ILL Methodologies ! And SM bet that concerning structural/magnetic structure refinements, WISH has/will run into the same problems as already found on SXD !
Provided integration is made, Crystal EXTINCTION can be sort of refined with the ILL-type CW sources, but with TOF, wavelenght dependant effects seems to not work and require heavy pre- (MC simulation?) based data correction or new unavailable post-integration models in refinement codes, and in the abscence of more effort, BENCHMARKS OF SXD WITH THE ILL leads to 2-3 times worse Bragg Factors & the reliable determination of magnetic moment made almost impossible – even in the simplest MnO AF magnet where it’s the only parameter of the magnetic structure, 100 % corelated to scale factors and extinctions parameters...
And by extreapolation, for all past/future TOF sources, especially ESS ! the True, Untold Natural Extinction Phenomenon in Single Crystals Samples Restricts in UK’s Bragg’s country’s and within ISIS short Pulse TOF Source, all the Quantitative - past present and future Neutron SX Diffraction programs aiming at proper refinements only to samples having bad mosaicities so that... SX Extinction I’m afraid « naturally » restrict TOF SX Quantitative work to.. SXD/LMX « larger cell crystallography » and simply prevents WISH wish !
CONTINUOUS CLASSICAL vs DISRUPTIVE QUANTUM MANAGEMENT
All that past work done, and lesson learned, are denied by the disruptive (early – 2008 - computing langage C++ choice for BLITZKRIEG Facility + TESSELA corp) part of the management of the WISH SX program!
If bechmarks with SXD (or enven better, with the ILL) cannot be provided now, WISH’s 2nd wish & pretention of ever be a Single Crystal machine should be FORBIDDEN by Serious International Board especially by the ESS SAC FOREVER, AND correlatively impose ISIS to stop any further plans of Crystallographic Computing that could be associated to MANTID, admit for that SXTAL, 10 past years MANTID experience is and was a predictable fail of Scientist too much corrupted/seduced by the Inoovation Dogma ruling the world of Companies loving investments on disruptive teks !
That, Applied to ISIS, constitute RISKY disrupting Scientific management jepopardizing the Success of a whole program (small molecule Single Crystal diffraction), not recognising (as expert magnetic Rietvelt guys???), the unavoidalbe consideration in Crystallography of Legacy Code (fortran). This page includes accordingly, the history of GSAS project, and it contains this chart showing well how it frames into (the strategic) Language choice for Crystallographic computing developemnt : GSAS kept old fortran and wrapped it with python GUI and think now to move on, by translation Fortran into Numpy (which is mature now, but was not, at the time of mantid!). It’s a disputable choice. Numpy arrays enable Python to be fast, but they are not Mathematical Arrays : simple mathematical operations are not doing what you intuitively want and use « broadcasting » which is less natural than using Fortran arrays/syntax, an issue solved long ago by the approach of...
The ILL ! Who chose instead to support (since 2002) the long term continuous tedious 20 years long effort to makes Libraries (moduels) out of the original « spaghetti » Fullprof Ritveld code, first translating olf F77 to Modular F90, a HUGE EFFORT enabling after years to develop what ? Modules for Single Ceystal diffraciont as well, within the CRYSFML libraries, Matured around 2012 I believe, just when the WISH SX program started, Single Crystal « Scientific Friendly » readable FORTRAN MODULES ! JRC (almost) alone for years, managed the Double Shot : double gain, most importantly, enabling the participation of SCIENTISTS of very different computing level and background, to contribute to the project, whilst internal collaboration with Computing groups parachive « User friendly » GUI in Python/GTK to obtain for example this result : Int3D building up on 10 years of CONTINUOUS developements...
Both GSAS & Fullprof heritage avoided the C/C++, and that of Fullprof (Retveld/powder) provide now Single Crystal tools. And VADOR Dimond dog has been warened ! Past failure of Jane Brown to translate CCSL for instance. In the chart shown before, the improvement of C/C++ reaches an end point ! it’s the evolution of Object Oriented Modern Paradigms, in fact not so useful in Crystallographic/Scientific computing, the Fortran has a more natural Language (FORmula TRANslation) for scientific computing, stores Array structure the most closest as Math Matrices. And is far more readable than the horrible imbrication of {} in C/C++. Single crystal diffraction cannot be started from scratch, within Mantid.
POWDER DIFF CAN BUILD Italian TOF-TOF FERRARIs if they want ! FOR FAST PUB OUTPUT ON HIGH WAYS USER PROGs, BUT ESS SX DIFF NEEDS « SOME » ILL-4 CIRCLE French CW-DODOCHES ! (« deux chevaux » : 2CV) TO BE ABLE TO DRIVE ON THE MUDDY ROADS, OF FUNDAMENTAL REASEARCH !
That conclusion may at first glance shock the WISH Quantum-managers of « facility bisness » : they sell you Neutron Machine like Tesla « buisness » sells cars ! High tech GEMS with shiny lights (Powder prog Pub output) with « potential in dvt options for upgrade » (with no Pub, nor internal tecnical report : Corp. Secrets !), insulting in fact Science Progs, I love this car analogy !
… only the buyers of Tessela Love their Good ! God knows why ! I went in one, for driving, I prefer to be in cotrol of MY SAFETY on long distrances, than let a machine brake/unbreak for me ! Automatic driving makes you paradoxally very unsafe ! In trafic jams, that can be discussed, it’s true it saves hassles of chaging gears, but one Day (or sustainable dvt requires!) big Cities will Collapse so trafic jams wont be a problem anymore so all in all, no need for expensive Gadgets : just need Goodenough Batteries ! But before solving World/Energy Crises... Regarding Neutron Scattering, the lesson is we don’t sell technology, but instrument adapted to Scientific needs !
Requiring to Solve the EU neutron Single Diffraction problem, the threat of Scientifically/tecnically unjustified ISIS Imperialism and domination of the ILL on this Matter, whis is not Quantum at all : a TECHNICAL CHOICE ! Force the Quatum WISH Nature Editors to talk at the ILL council, since one of them is member !
Force discussion for a Vision that can in fact OPTIMISE the ISIS + (ILL or ESS) joint-facility output (i.e making my Advice actually going in BIG BRO sense, working FOR him ! better than the people who wrote that « POLITICAL NATURE » hidding it’s (within the UK, preparing a War giving advice to ESS already present Mantid exported Guys especially John Taylor DATA ANALASIS Group leader, or Radaelli’s «Manganites rooted fame » acqauintances, like Dimitri Argyriou, whilst, Spying the ILL).
Not telling that within the UK secret boards, that will be used as a « facility devt call for MANTID grants » and achievement of BIG BRO’s blietzkrieg trial to get as much EU resources as he can via (secret power) imbalanced collaboration! MANTID Grant Money that ISIS can save, and learn instead to forget ISIS BIG BRO technocratic heritage, and Scientifically maturedly come back into a EU Mag SX program, in a sane collaborative manner with the Specialist there, helping and not competing with the ILL,
...for a future ESS « market » the WISH guys still managing the project in fact from tenure track a priori independent positions (Oxford Professor and Argone APS director!) hidden withn the Nature editorial board, keeping control on Future UK access to EU Neutron Science Program via the best route (technical cooperation SEELING INSTRUMENT DESIGN/CONCEPTS) with Notoriety & Privileged entry like before, inheriting from the past RIPP OFF instutionally managed at the ILL, thanks e.g the total abscence of verification of ILL/ISIS conflicts of interest (link to the result of an INS Oxford grant from Prof Boothroyd in HIDDEN collaboration with ISIS/Perring, leading to a first « fraud » SM got the victim of : a Phd finanaced by that grant was also using ILL diffraction set within the ILL, in secret competion with SM SX work spied by Perring THE WHOLE ON THE SAME SUBJECT SM originally defined, at the ILL) !
CONCLUSION : ASK HOW THE MANTID-VIPER EXORCISM WENT !
