—————————————————————————————————————————————————————————————————————————————
••••••• Principal Component Analysis
•••••••
—————————————————————————————————————————————————————————————————————————————
6/22/2022
2.5 µM CYP3A4 in 0.1M Hepes, pH 7.4
Parameters were set as follows:
Lower wavelength bound.:350
Upper wavelength bound.:700
Wavelength step:1.0
Max number of components: 3
File of standards:D:\SPLAB32MMX\STANDARDS\CYP3A4.ASC
Order of background correction polynomial: 3
Threshold of corr.coeff. to accept the fitting of standard:
0.920000
Thresh. of corr.coeff. to take the component into
account:0.500000
3 Principal components were found
0.9992 of total SSD were covered
================== Fitting of standars by principal vectors
==================
•—————•————————————•————————————•————————————•——————————•
¦Vect.¦ Std. 1 ¦ Std.
2 ¦ Std. 3
¦ ¦
¦ # ¦
LS ¦
HS ¦ 'P420'
¦Contrib.,%¦
¦ ¦Based on #13¦Based on # 2¦Based
on # 9¦ ¦
•—————•————————————•————————————•————————————•——————————•
¦ Base¦ 0.364801¦
0.363476¦
0.361955¦ ¦
¦ 1 ¦ -0.596154¦
0.676631¦ -0.589474¦ 99.84 ¦
¦ 2 ¦ -0.108204¦
-0.082791¦ 0.136547¦
0.04 ¦
¦ 3 ¦ -0.006289¦
0.017638¦ -0.002361¦ 0.03 ¦
¦C.Cor¦ 0.984758¦
0.928598¦
0.908583¦ ¦
•—————•————————————•————————————•————————————•——————————•
===================== Fitting of principal vectors by
standards ==============
•—————•————————•————————•————————•————————•————————•————————•————————•————————•————————•
¦Vect.¦Stand. 1¦Stand. 2¦Stand.
3¦
¦
¦
Polynomial
¦
¦ # ¦ LS ¦
HS ¦ 'P420' ¦ Total ¦ C.Corr.¦ Offset ¦
A(1) ¦ A(2) ¦ A(3) ¦
•—————•————————•————————•————————•————————•————————•————————•————————•————————•————————•
¦ Base¦ 1.7568¦ 0.7875¦ 0.1669¦
2.7113¦ 0.9988¦ -0.0005¦ 0.0000¦ -0.0000¦
0.0000¦
¦ 1 ¦ -0.9721¦ 1.0083¦ -0.0279¦
0.0083¦ 0.9970¦ 0.0003¦ 0.0000¦ -0.0000¦
0.0000¦
¦ 2 ¦ -1.0000¦ 0.2390¦ 0.6483¦
-0.1127¦ 0.2847¦ -0.0021¦ 0.0001¦ -0.0000¦
0.0000¦
¦ 3 ¦ -1.0000¦ 0.4501¦
0.6098¦ 0.0598¦ 0.3198¦ -0.0056¦ -0.0008¦
0.0000¦ -0.0000¦
•—————•————————•————————•————————•————————•————————•————————•————————•————————•————————•
Number of significant components: 1
The following components are significant:
•—————•————————————•————————————•
¦ No. ¦Fr. of molar¦Correlation ¦
¦ ¦ changes, % ¦coefficient ¦
•—————•————————————•————————————•
¦ 1 ¦ 100.000000 ¦ 0.996978 ¦
•—————•————————————•————————————•