[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o1856-o1857
[ doi:10.1107/S1600536813032170 ]

2-Methyl­aspartic acid monohydrate

G. Brewer, A. S. Burton, J. P. Dworkin and R. J. Butcher


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT417_ALERT_2_B Short Inter D-H..H-D H1W2 .. H4O .. 2.09 Ang.
Alert level C RFACR01_ALERT_3_C The value of the weighted R factor is > 0.25 Weighted R factor given 0.279 PLAT084_ALERT_3_C High wR2 Value (i.e. > 0.25) ................... 0.28 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0058 Ang. PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 16 PLAT918_ALERT_3_C Reflection(s) # with I(obs) much smaller I(calc) 1 Check
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large. 0.17 PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 2 PLAT793_ALERT_4_G The Model has Chirality at C2 (Verify) R PLAT870_ALERT_4_G ALERTS Related to Twinning Effects Suppressed .. ! Info PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 14 PLAT931_ALERT_5_G Check Twin Law ( )[ 2 0 1] Estimated BASF 0.15
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 5 ALERT level C = Check. Ensure it is not caused by an omission or oversight 7 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 ALERT type 2 Indicator that the structure model may be wrong or deficient 5 ALERT type 3 Indicator that the structure quality may be low 4 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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