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@jokasimr jokasimr requested a review from nvaytet June 10, 2025 08:11
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This are the lowest Q values in the orso file:

# # Qz (1/angstrom)    R                      sR                     sQz (1/angstrom)      
1.0044995237394449e-02 9.8603449665594300e-01 7.8179479714162482e-03 4.1363725159788978e-04
1.0135390626460985e-02 9.8245104333478350e-01 7.5570347164487421e-03 4.1670106126586831e-04
1.0226599487925606e-02 9.7696417593495455e-01 7.3448109829999759e-03 4.1828901426624527e-04
1.0318629142265039e-02 9.8564334802005227e-01 7.3906865714743432e-03 4.1962414384512657e-04
1.0411486975833342e-02 9.5169127761079275e-01 6.9599717030842763e-03 4.2310566259624898e-04
1.0505180441454711e-02 9.7407382190188407e-01 6.8907576938003132e-03 4.2645004390068738e-04
1.0599717059021668e-02 9.8426912609602146e-01 6.7562375631018429e-03 4.2928423579183424e-04
1.0695104416098604e-02 9.7450248676141815e-01 6.5034923168526652e-03 4.3253452179161566e-04
1.0791350168530762e-02 9.8118888188357278e-01 6.3716833404347311e-03 4.3480071560078745e-04
1.0888462041058696e-02 9.8887990521784652e-01 6.2638375299793724e-03 4.3927220128707435e-04
1.0986447827938273e-02 1.0106569599007325e+00 6.2384780198697382e-03 4.4223603304064865e-04
1.1085315393566239e-02 1.0015005572426214e+00 6.0240780687788762e-03 4.4527232322051240e-04
1.1185072673111411e-02 1.0177740726436633e+00 5.9882664258192365e-03 4.4820858865534128e-04
1.1285727673151575e-02 9.8921638764095243e-01 5.6963317802609156e-03 4.5265854416738833e-04
1.1387288472316090e-02 1.0201869446242222e+00 5.7196396022441455e-03 4.5581306060731361e-04
1.1489763221934280e-02 1.0008249942362757e+00 5.4809677965727164e-03 4.5871481927092051e-04
1.1593160146689669e-02 1.0025584609428606e+00 5.4013279001621436e-03 4.6292087220993082e-04
1.1697487545280105e-02 1.0263729247237372e+00 5.3895056224825362e-03 4.6600726482663284e-04
1.1802753791083805e-02 1.0193693802271575e+00 5.2267157416687896e-03 4.6970776586345347e-04
1.1908967332831416e-02 1.0103354333924730e+00 5.0871137990220350e-03 4.7319692527195552e-04
1.2016136695284119e-02 1.0094491046259855e+00 4.9950652800967200e-03 4.7648929966986469e-04
1.2124270479917813e-02 1.0409814363689365e+00 5.0293613302694624e-03 4.7972371645923123e-04
1.2233377365613494e-02 1.0223059605490794e+00 4.8607306388079325e-03 4.8407536387068818e-04
1.2343466109353829e-02 1.0252532931453100e+00 4.7993351510761256e-03 4.8695863655647638e-04
1.2454545546925976e-02 1.0128499829761819e+00 4.6788897952293471e-03 4.9180902124788242e-04
1.2566624593630758e-02 9.9854962639967948e-01 4.5570537317499698e-03 4.9464614477104059e-04
1.2679712244998226e-02 1.0054021277720633e+00 4.4881193266977145e-03 4.9880191982438712e-04
1.2793817577509629e-02 1.0093717851660171e+00 4.4560096498985390e-03 5.0251488214466983e-04
1.2908949749325898e-02 1.0010082832213376e+00 4.3674046766402144e-03 5.0611872242520696e-04
1.3025118001022684e-02 9.9997502865166965e-01 4.3246987974745249e-03 5.1087145503655442e-04
1.3142331656332034e-02 1.0100273480052027e+00 4.2936439281344493e-03 5.1496622270002569e-04
1.3260600122890685e-02 9.9862071869848812e-01 4.2029742286579241e-03 5.1907625237436288e-04
1.3379932892995151e-02 1.0164823930731817e+00 4.2357430748032766e-03 5.2294295070626966e-04
1.3500339544363577e-02 9.7996155603147039e-01 4.0449708337456014e-03 5.2793717559712617e-04
1.3621829740904442e-02 9.9247214969196795e-01 4.0645114477996080e-03 5.3257311502360278e-04
1.3744413233492195e-02 1.0037016435356869e+00 4.0682004028257997e-03 5.3633920455711120e-04
1.3868099860749876e-02 9.8685070242340178e-01 3.9754464443643002e-03 5.4020499389089403e-04
1.3992899549838754e-02 9.7696514386858824e-01 3.9134752355823154e-03 5.4470166910886920e-04
1.4118822317255088e-02 9.7178241076301930e-01 3.8866934076358353e-03 5.4976238836404348e-04

@jokasimr jokasimr merged commit 666b507 into main Jun 10, 2025
4 checks passed
@jokasimr jokasimr deleted the fix-orso-output-case branch June 10, 2025 12:17
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3 participants