Residual factors

Now the statistics for the whole dataset (last line) have much improved an overall completeness of 99% is fine and a MoO of 5.5 is acceptable. These are the data against which we should refine the model. 

The quality of the model can be judged with the help of various residual factors or -factors . These factors should converge to a minimum during the refinement and are to be quoted when a structure is published. The three most commonly used residual factors are  

The weighted / -factor based on F wR (or wR2 in SHELXL), which is most closely related to the refinement against squared structure factors. 

The weighting factor w is individually derived from the standard uncertainties of the measured reflections and expresses the confidence we have in every single reflection. 

Albeit based on F values and hence mostly of historical value, the most popular one is the unweighted residual factor based on F R (or / 1 in SHELXL). 

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Fig. 31.15. Scree-plot, representing the residual variance V as a function of the number of factors r that has been extracted. The diagram is based on a factor analysis of Table 31.2 after log double-centering. A break point occurs after the second factor, which suggests the presence of only two structural factors, the residual factors being attributed to noise and artefacts in the data.

Some Poisonous Residue Factors in Use of Two New Organic Insecticides... 

HENSILL AND GARDNER—RESIDUE FACTORS IN NEW ORGANIC INSECTICIDES... 

Early work in the laboratory and in the field soon established the fact that there would be no poison residue factor with this chemical, owing to its rapid decomposition. Within a relatively few hours the chemical broke down into diethyl phosphoric acid... 

Aside a few specimens with predominantly kinematical scattering, many specimens investigated by EDSA show pronounced d5mamical scattering. In these cases suitable corrections must be applied to link lOhki I and observed Ihki- For the latter case one has to use successive approximations, i.e. evaluation of parameters from weak kinematical reflections which are then used to apply dynamical corrections to strong dynamical reflections. Without such corrections the residual / -factor of the structure amplitudes is usually about 20 % or more, while suitable corrections lead to / -factors in the range of 5 - 2 %. 

Waller factor, AEr correction of threshold energy and R factor residual factor. ... 

The estimated price range is 20 to 75 per ton. These estimates do not always include all indirect cost associated with treatment such as excavation, permits, and treatment of residuals. Factors that have a significant effect on the unit price of this technology include the following ... 

Factor IX (Christmas factor) is next in the intrinsic mechanism cascade. It can be activated either by XIa or by Vila of the tissue factor pathway. The absence of a functional factor IX leads to the inherited X-linked bleeding disorder hemophilia B which affects 1 in 30,000 males. The condition can be mild or very serious551552 and may be caused by a variety of mutations or by incorrect splicing of the messenger RNA for the 416-residue factor IX. The level of factor IX in blood increases with age, almost doubling by old age.552a... 

Factor IXa causes a rapid activation of factor X only if Ca2+, phospholipid,553 554 and the accessory factor Villa555 are present. The IXa Villa complex acts on X about 2 x 105 times faster than does IXa alone. This complex cleaves the same bonds in X as does the VIIa Va complex formed in the tissue factor pathway.514 The 2332-residue factor VIII and factor V have similar structures that include three repeats of a domain homologous to the blue copper-containing plasma protein ceruloplasmin (Chapter 16).556-559 Tyrosine 1680 of VIII apparently must be converted to a sulfate ester for full activity.560... 

Sexual conjugation in yeast is also induced by pheromones (mating factors).325-327 Yeast cells of mating type a synthesize the 12-residue mating factor a which contains a C-terminal cysteine methyl ester S-alkylated with a frans,frans-farnesyl group (Table 30-5). Cells of type a synthesize a 13-residue factor ol 327a Cells are attracted to the pheromone produced by cells of the opposite type. The tremerogens, sex hormones of certain basidiomycetes, have related structures (Table 30-5)328... 

TABLE 3.4 Comparison of Agricultural Grain Residue Factors... 

Crop Site Production (10 t/year) Residue factor Availability factor Percent dry wt. Collectible (10 dry t/year) Organic (%) Energy content (EJ/year)... 

Activated factor XIa has been demonstrated in samples of reconstituted intravenous immunoglobulin from eight different manufacturers (11). The degree of factor XIa contamination in intravenous immunoglobulin correlated with the manufacturer, suggesting that the purification process can affect residual factor XI concentration. Factor XIa can activate factor IX to factor IXa, and it can be hypothesized that there is a direct correlation between the presence of factor XI in intravenous immunoglobulin products and an increased risk of thrombotic complications. 

Coordination number, " ond distance, Debye-Waller factor, " Difference in the origin of photoelectron energy between the reference and the sample, Residual factor, Fourier transform range 35-127 nm for Rh and 35-124 nm for Pd, Fourier filtering range 0.160-0.280 nm for Rh and 0.170-0.295 nm for Pd. 

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