From 0f5b5da749901e047f25a86ddb361cfd75f5fadc Mon Sep 17 00:00:00 2001
From: sakul-45 <81963567+sakul-45@users.noreply.github.com>
Date: Tue, 3 Aug 2021 14:12:08 +0200
Subject: [PATCH] What I already have

---
 NMRpurity.m | 33 +++++++++++++++++++++++++++++++++
 README.md   |  3 ++-
 2 files changed, 35 insertions(+), 1 deletion(-)
 create mode 100644 NMRpurity.m

diff --git a/NMRpurity.m b/NMRpurity.m
new file mode 100644
index 0000000..d70e2b1
--- /dev/null
+++ b/NMRpurity.m
@@ -0,0 +1,33 @@
+%Funktion zur Berechnung von Verunreinigungen in NMRs
+function[] = NMRpurity(M_Prod)
+
+%Aceton
+acetone = input('Integration Aceton: ');
+impurities(1) = 58.08 * acetone / 6;
+
+%Et2O
+ether = input('Integration Et_2O: ');
+impurities(2) = 74.12 * ether / 10;
+
+%EtOAc
+etoac = input('Integration EtOAc: ');
+impurities(3) = 88.11 * etoac / 8;
+
+%H2O
+water = input('Integration Wasser: ');
+impurities(4) = 18.01 * water / 2;
+
+n = input('Anzahl weiterer Verunreinigungen: ');
+if n == 0
+else
+    for i=1:n
+        M = input('Molare Masse: ');
+        H = input('Anzahl H-Atome: ');
+        I = input('Integration: ');
+        impurities(4+i) = M * I / H;
+    end
+end
+purity = (M_Prod / (M_Prod + sum(impurities)))*100;
+output = ['Reinheit = ',num2str(purity),' %'];
+disp(output);
+end
\ No newline at end of file
diff --git a/README.md b/README.md
index 8e5730b..b86fdbf 100644
--- a/README.md
+++ b/README.md
@@ -1,2 +1,3 @@
-# nmr-purity-calculator
+# NMR purity calculator
 
+MATLAB function for calculating the purity of your product.
\ No newline at end of file