NMR
Elemental analysis
Storage and Backup of Data
Formats and Storage
All NMR data are solely available in electronic form as FIDs or serial files. In order to distribute the costs needed for maintenance and servicing among the working groups we are using an automatic accounting procedure. Therefore all data have to be assigned to a particular group member by means of the corresponding file name and the group is charged according to required spectrometer time. The file names consists of the customers name followed by a number and an experiment code. Depending on the particular data format there is an additional experiment number (serving as extension (JEOL Data) or as subfolder name (Bruker)). Data acquired on the old Bruker AC250 are named with the customers initials instead. In order to facilitate processing all data are converted and stored in two formats which can be used in connection with the available software: Bruker TOPSPIN (4 float- licenses) and JeoL Delta (free of charge downnload at jeol.com):
Jeol- Delta- format: one file per spectrum (e.g. username1_1h-1.jdf, username3_cosy-1.jdf or NM_1h-1..10.jdf (AC250)
Bruker Topspin-/XWINNMR- format: one folder (e.g. username1_1h/1/fid ../pdata/1/.. several experiments stored different sub directories name1_1h/1,2,3/fid ../pdata/1/..
Data are transferred to the NMR server (decan.chemie.fu-berlin.de), from where they can be retrieved via any chemnet host. The following partitions contain data originating from the specified spectrometers and formats. Users of some older versions of available NMR software might encounter difficulties when processing digitally filtered data (Winnmmr, MestreC). For this reason modified (left shifted) Bruker data are saved in an additional partition:
/a/data/ac250/delta AC250, Delta- Format
/a/data/ac250/nmr AC250, ECP500, Topspin, Xwinnmr - Format
/a/data/dpx400/delta DPX400, Delta- Format
/a/data/dpx400/nmr DPX400, Topspin, Xwinnmr - Format
/a/data/dpx_XW/nmr AV700, Xwinnmr - Format
/a/data/ecx/delta ECX400, Delta- Format
/a/data/ecx/nmr ECX400, Topspin, Xwinnmr - Format
/a/data/ecp/delta ECP500, Delta- Format
/a/data/ecp/nmr ECP500, Topspin, Xwinnmr - Format
/a/data/av/delta AV500, Delta- Format
/a/data/av/nmr AV500, Topspin- Format
/a/data/av_XW/nmr AV500, Xwinnmr - Format
/a/data/700/delta AV700, Delta- Format
/a/data/700/nmr AV700, Topspin- Format
/a/data/700_XW/nmr AV700, Xwinnmr - Format
Data, which have been measured at 250 MHz, can also be accessed via nmr.chemie.fu-berlin.de (Bruker X32). Users who like to process AC250 data by means of the Jeol Delta software should download their fids form /a/data/ac250/delta. Several companies obtain their data using eletronic mail (where applicable as ascii JCAMP files).
Backup
Raw Data are kept for a period of 10 years at the central computing facility of the FU- Berlin (ZEDAT)
ZEDAT(Backup Service)^M ^M ^M ^M