Empower Custom Fields Tailoring Calculations to Meet your

Empower Custom Fields: Tailoring Calculations to Meet your Laboratory’s Needs Neil J Lander Waters Corporation neil_j_lander@waters. com www. waters. com/empowertips © 2019 Waters Corporation COMPANY CONFIDENTIAL 1

Agenda ¡ Part 1 – Examples: – %RSD for bracketed samples – % Agreement between samples – HPLC column log – Calculating void volume – Defining peak position – Scouting for the optimum separation ¡ Part 2 – Our guest speaker -Ashraf Alsabbagh, Ph. D. , Assoc. Director, R&D Info Systems of Gilead -Enhanced Component Summary Tables © 2019 Waters Corporation COMPANY CONFIDENTIAL 2

Example 1 ¡ User needs the following: – Overall area %RSD for Control samples – Area %RSD for groups of bracketed Control samples – Same for Retention Time – Overall sample evaluation to report Pass/Fail © 2019 Waters Corporation COMPANY CONFIDENTIAL 3

Sample Set © 2019 Waters Corporation COMPANY CONFIDENTIAL 4

Custom Fields ¡ C%. %. . %RSD(Area) ¡ C%. %. . %RSD((EQ(Label, "C 1")|EQ(Label, "C 2")|EQ(Label, "C 3")|EQ(Label, "C 4"))*Area+NEQ(Label, "C 1")&NEQ(Label, "C 2")&NEQ(Label, "C 3")&NEQ(Label, "C 4")*-1*50000) ¡ C%. %. . %RSD((EQ(Label, "C 3")|EQ(Label, "C 4")|EQ(Label, "C 5")|EQ(Label, "C 6"))*Area+NEQ(Label, "C 3")&NEQ(Label, "C 4")&NEQ(Label, "C 5")&NEQ(Label, "C 6")*-1*50000) ¡ LTE(Per. RSDC_All, 5)*LTE(Per. RSDC 1 C 2 C 3 C 4, 5)*LTE(Per. RSDC 3 C 4 C 5 C 6, 5)*LT E(Per. RSDTime_All, 2)*LTE(Per. RSDTime_C 1 C 2 C 3 C 4, 2)*LTE(Per. RSDTime_C 3 C 4 C 5 C 6, 2) © 2019 Waters Corporation COMPANY CONFIDENTIAL 5

Result © 2019 Waters Corporation COMPANY CONFIDENTIAL 6

Example 2 ¡ User needs the following: – Calculate percent agreement between successive pairs of standards and samples. – Each pair has unique labels which results in numerous custom fields. – Could this scenario be simplified? © 2019 Waters Corporation COMPANY CONFIDENTIAL 7

The Sample Set Method © 2019 Waters Corporation COMPANY CONFIDENTIAL 8

Custom Fields – One per pair of samples © 2019 Waters Corporation COMPANY CONFIDENTIAL 9

Custom Field – 1 does the job! © 2019 Waters Corporation COMPANY CONFIDENTIAL 10

The Result © 2019 Waters Corporation COMPANY CONFIDENTIAL 11

Example 3 ¡ User needs the following: – Create a list of column part numbers and when a part number is selected, the following fields are automatically populated in the Sample Set Method: o column length o column ID o particle size o other fields © 2019 Waters Corporation COMPANY CONFIDENTIAL 12

Custom Fields © 2019 Waters Corporation COMPANY CONFIDENTIAL 13

Custom Fields ¡ ENUM(EQ(Column_PN, 0), EQ(Column _PN, 1), EQ(Column_PN, 2), EQ(Colum n_PN, 3)) © 2019 Waters Corporation COMPANY CONFIDENTIAL 14

Sample Set © 2019 Waters Corporation COMPANY CONFIDENTIAL 15

Example 4 ¡ User needs Empower to calculate the Void Volume in order to accurately determine the Void Volume Time so that Empower can calculate capacity factor and selectivity. – The Columns Calculator provides the equations for calculating column volume and void volume © 2019 Waters Corporation COMPANY CONFIDENTIAL 16

Columns Calculator © 2019 Waters Corporation COMPANY CONFIDENTIAL 17

Custom Fields ¡ Column Volume = (Column_Length*3. 14)*(Column_Diameter/2)**2 ¡ Column Void Volume = Column_Volume*Porosity_Factor ¡ Be sure to correct for flow rate! © 2019 Waters Corporation COMPANY CONFIDENTIAL 18

The Result © 2019 Waters Corporation COMPANY CONFIDENTIAL 19

Example 5 ¡ User wants to define peak position which can be used with Toolkit applications. – Define order of peaks – Define peak position © 2019 Waters Corporation COMPANY CONFIDENTIAL 20

Row number defines peak position, however, it is not accessible. © 2019 Waters Corporation COMPANY CONFIDENTIAL 21

Custom Fields ¡ MIN(Retention Time) ¡ MIN((GT(Retention Time, Peak_01)+LTE(Retention Time, Peak_01)*1*50000)*Retention Time) ¡ MIN((GT(Retention Time, Peak_02)+LTE(Retention Time, Peak_02)*1*50000)*Retention Time) ¡ MIN((GT(Retention Time, Peak_03)+LTE(Retention Time, Peak_03)*1*50000)*Retention Time) ¡ EQ(Retention Time, Peak_01)+EQ(Retention Time, Peak_02)*2+EQ(Retention Time, Peak_03)*3+EQ(Retention Time, Peak_04)*4 © 2019 Waters Corporation COMPANY CONFIDENTIAL 22

The Result © 2019 Waters Corporation COMPANY CONFIDENTIAL 23

Example 6 ¡ User doing scouting (during method development) needs Empower to report the following for each experiment: – Total number of peaks found – Total number of peaks with baseline resolution – Total number of peaks with a tailing factor less than or equal to 1. 5 – Minimum capacity factor – Minimum resolution – Retention time of last peak © 2019 Waters Corporation COMPANY CONFIDENTIAL 24

Report Method © 2019 Waters Corporation COMPANY CONFIDENTIAL 25

Custom Fields ¡ SUM(Peaknumber) ¡ SUM(Flag_Critical_Rs_GTE_1 o 5) ¡ GTE(USP Resolution, 1. 5) © 2019 Waters Corporation COMPANY CONFIDENTIAL 26