Standardizing a spectrometric instrument

Claim 3

The method of claim 1 further comprising obtaining operational spectral data for a standard sample with the operational condition, and storing the operational spectral data for inclusion with the future application to test spectral data.

Claim 4

The method of claim 2 further comprising obtaining test spectral data for a test sample with the operational condition, relating the idealized function, the standard function, the standard spectral data and the operational spectral data with a transformation function, and computing standardized spectral information for the test sample corrected for the intrinsic distortion by application of the transformation function to the test spectral data.

Claim 5

The method of claim 3 wherein the idealized function J I , the standard function J 1 , the standard spectral data S 1 C and the operational spectral data S 2 C are related with the transformation function F by a first relationship F=(J I /J 1 )*(S 1 C /S 2 C ), and the transformation function is applied to the test spectral data S 2 T to compute the standardized spectral information S I T by a second relationship S I T =S 2 T *F.

Claim 6

The method of claim 4 wherein the sample set includes a basic sample having predetermined fundamental spectral data S 0 B , and the step of establishing comprises obtaining basic spectral data S 1 B for the basic sample with the standardizing condition, and determining the standard function J 1 by a further relationship J 1 =S 1 B /S 0 B .

Claim 7

The method of claim 5 wherein the step of obtaining basic spectral data comprises obtaining initial spectral data for the basic sample with the standardizing condition, determining a baseline from the initial spectral data and the fundamental spectral data, and computing the basic spectral data from the baseline and the initial spectral data.

Claim 8

The method of claim 6 wherein the baseline BL is determined from the initial spectral data S 2i B and the fundamental spectral data S 0 B by a function BL=[(S 2i B /S 0 B )/(1/S 0 B -1)] av , where the subscript av designates averaging over a selected wavenumber range for the spectral data, and the basic spectral data is computed from the baseline and the initial spectral data by a formula S 2 B =(BL-S 2i B )/BL.

Claim 9

The method of claim 1 wherein the sample set includes a basic sample having predetermined fundamental spectral data, and the step of establishing comprises obtaining basic spectral data for the basic sample with the standardizing condition, and determining the standard function by a relationship with the basic spectral data and the fundamental spectral data.

Claim 10

The method of claim 1 wherein: the sample set includes a basic sample having predetermined fundamental spectral data S 0 B , and the step of establishing comprises obtaining basic spectral data S 1 B for the basic sample with the standardizing condition, and determining the standard function J 1 from a further relationship J 1 =S 1 B /S 0 B ; the idealized function is a first idealized function J I associated with the operational condition, and the method further comprises selecting a second idealized function J I1 of spectral line shape for a hypothetically sharp spectral line, the second idealized function being associated with the standardizing condition; the method further comprises computing an intermediate relationship S I1 C =S 1 C *(J I1 /J 1 ) from the standard spectral data S 1 C ; and the step of storing comprises storing computational components including the intermediate relationship S I1 C , the standard function J 1 and the second idealized function J I1 , the second idealized function J I1 being stored directly or in a computed form J I1 /J 1 .

Claim 11

The method of claim 9 further comprising obtaining operational spectral data S 2 C for a standard sample with the operational condition, computing a first relationship F=J I /[J I1 *(S 2 C /S I1 C )] from the stored computational components, and storing the first relationship for the future application to test spectral data to effect standardized spectral data.

Claim 12

The method of claim 10 wherein the transformation function is applied to the test spectral data S 2 T to compute the standardized spectral information S I T by a second relationship S I T =S 2 T *F.

Claim 13

The method of claim 1 wherein the step of establishing comprises selecting the standard function theoretically.

Claim 14

The method of claim 1 wherein the optical component comprises an aperture stop in the optical train that introduces the intrinsic distortion relative to aperture size, the standardizing condition comprises a standardizing aperture having a first aperture size, and the operational condition comprises an operational aperture having a second aperture size.

Claim 15

The method of claim 13 wherein the optical train further includes an effective light source and a focusing means disposed to image the effective light source on the sample, the focusing means having a focal length f, the standardizing aperture having an effective diameter d, and the standard function J 1 being established by a further relationship J 1 =β 2 σ/8 where β=sin -1 (d/f) and σ is wavenumber for spectral data.

Claim 16

The method of claim 1 wherein the spectral means comprises interferometer means for effecting a time-scanned interference beam passed through the sample to effect the spectral beam, and the spectral data is obtained by applying a Fourier transform computation to corresponding signal data.

Claim 17

The method of claim 15 further comprising obtaining operational spectral data for a standard sample with the operational condition, obtaining test spectral data for a test sample with the operational condition, relating the idealized function, the standard function, the standard spectral data and the operational spectral data with a transformation function, and computing standardized spectral information for the test sample corrected for the intrinsic distortion by application of the transformation function to the test spectral data, wherein: the idealized function has a profile with a width proportional to wavenumber, the step of specifying comprises specifying the idealized function in logarithmic space independently of wavenumber, the step of establishing comprises establishing the standard function in logarithmic space independently of wavenumber, and each of the steps of obtaining spectral data further comprises applying the Fourier transform computation to corresponding signal data to effect preliminary data, and computing a logarithm of the corresponding preliminary data to effect corresponding sample data in the logarithmic space, such that the transformation filter is defined in the logarithmic space; and the step of computing standardized spectral information comprises computing a logarithmic form of the test spectral data, multiplying the logarithmic form by the transformation filter to effect a transformed form of the test spectral data, and computing an anti-logarithm of the transformed form to effect the standardized spectral information.

Claim 18

The method of claim 16 wherein the idealized function J I , the standard function J 1 , the standard spectral data S 1 C and the operational spectral data S 2 C are related with the transformation function F by a first relationship F=(J I /J 1 )*(S 1 C /S 2 C ), and the transformation function is applied to the test spectral data S 2 T to compute the standardized spectral information S I T by a second relationship S I T =S 2 T *F.

Claim 19

The method of claim 17 wherein the idealized function is specified in logarithmic space by logarithmic conversion of a nominally rectangular profile with rounded corners.

Claim 22

The method of claim 19 further comprising obtaining operational spectral data for a standard sample, and storing the operational spectral data in a further selected format for future application to test spectral data.

Claim 23

The method of claim 20 further comprising, without changing instrument conditions to change instrinsic distortion, obtaining test spectral data for a test sample, relating the idealized function, the fundamental spectral data and the standard spectral data with a transformation function, and computing standardized spectral information for the test sample corrected for the intrinsic distortion by application of the transformation function to the test spectral data.

Claim 24

The method of claim 21 wherein the idealized function J I , the fundamental spectral data S 0 C and the standard spectral data S 2 C are related with the transformation function F by a first relationship F=J I *(S 0 C /S 2 C ), and the transformation function is applied to the test spectral data S 2 T to compute the standardized spectral information S I T by a second relationship S I T =S 2 T *F.

Claim 25

The method of claim 19 wherein the spectral means comprises interferometer means for effecting a time-scanned interference beam passed through the sample to effect the spectral beam, and the spectral data is obtained by applying a Fourier transform computation to corresponding signal data.

Claim 26

The method of claim 23 further comprising, without changing instrument conditions to change instrinsic distortion, obtaining operational spectral data for a standard sample, obtaining test spectral data for a test sample, relating the idealized function, the fundamental spectral data and the operational spectral data with a transformation function, and computing standardized spectral information for the test sample corrected for the intrinsic distortion by application of the transformation function to the test spectral data, wherein: the idealized function has a profile with a width proportional to wavenumber, the step of specifying comprises specifying the idealized function in logarithmic space independently of wavenumber, and each of the steps of obtaining spectral data further comprises applying the Fourier transform computation to corresponding signal data to effect preliminary data, and computing a logarithm of the corresponding preliminary data to effect corresponding sample data in the logarithmic space, such that the transformation filter is defined in the logarithmic space; and the step of computing standardized spectral information comprises computing a logarithmic form of the test spectral data, multiplying the logarithmic form by the transformation filter to effect a transformed form of the test spectral data, and computing an anti-logarithm of the transformed form to effect the standardized spectral information.

Claim 27

The method of claim 24 wherein the idealized function J I , the fundamental spectral data S 0 C and the standard spectral data S 2 C are related with the transformation function F by a first relationship F=J I *(S 0 C /S 2 C ), and the transformation function is applied to the test spectral data S 2 T to compute the standardized spectral information S I T by a second relationship S I T =S 2 T *F.

Claim 28

The method of claim 25 wherein the idealized function is specified in logarithmic space by logarithmic conversion of a nominally rectangular profile with rounded corners.

Claim 29

The method of claim 19 wherein the step of obtaining operational spectral data comprises obtaining initial spectral data for the standard sample, determining a baseline from the initial spectral data and the fundamental spectral data, and computing the operational spectral data from the baseline and the initial spectral data.

Claim 30

The method of claim 27 wherein the baseline BL is determined from the initial spectral data S 2i C and the fundamental spectral data S 0 C by a function BL=[(S 2i C /S 0 C )/(1/S 0 C -1)] av , where the subscript av designates averaging over a selected wavenumber range for the spectral data, and the operational spectral data is computed from the baseline and the initial spectral data by a formula S 2 C =(BL-S 2i C )/BL.

Claim 33

The method of claim 29 wherein the calibration condition is a standardizing condition, and step (a) comprises measuring the spectrum with the optical component in a standardizing condition.

Claim 34

The method of claim 30 further comprising measuring a spectrum of a basic sample with the optical component in the standardizing condition, the basic sample having predetermined fundamental spectral data, and determining the characterizing function from a relationship with the fundamental spectral data and the spectrum of the basic sample.

Claim 35

The method of claim 31 wherein the standard function of step (d) is determined theoretically.

Claim 36

The method of claim 31 wherein the calibration condition is a hypothetical basic condition, and step (a) comprises selecting a fundamental spectrum associated with the hypothetical basic condition.

Claim 37

A spectrometric instrument with standardizing of spectral information for a sample, wherein the instrument effects an intrinsic distortion into spectral data, the instrument comprising: an optical train with spectral means for effecting a spectral beam responsively to a sample such that the spectral beam is characteristic of the sample, detector means for detecting the spectral beam to effect signal data representative thereof, computing means receptive of the signal data for computing corresponding spectral information representative of the sample, and display means for displaying the spectral information, the optical train including an optical component selectively having a standardizing condition or an operational condition, such condition having the intrinsic distortion associated therewith, and the sample being selectable from a sample set including a test sample and one or more standard samples formed of a substance having true spectral data; means for storing an idealized function for spectral line shape, standard spectral data for a standard sample predetermined by operation of the instrument with the standardizing condition, and a standard function that relates the standard spectral data to the true spectral data; and means for applying the idealized function, the standard spectral data and the standard function to future test spectral data to effect standardized spectral data.

Claim 38

A spectrometric instrument with standardizing of spectral information for a sample, wherein the instrument effects an intrinsic distortion into spectral data, the instrument comprising: an optical train with spectral means for effecting a spectral beam responsively to a sample such that the spectral beam is characteristic of the sample, detector means for detecting the spectral beam to effect signal data representative thereof, computing means receptive of the signal data for computing corresponding spectral information representative of the sample, and display means for displaying the spectral information, the optical train including an optical component selectively having a standardizing condition or an operational condition, such condition having the intrinsic distortion associated therewith, and the sample being selectable from a sample set including a test sample and one or more standard samples formed of a substance having true spectral data; means for storing an idealized function for spectral line shape, standard spectral data for a standard sample predetermined by operation of the instrument with the standardizing condition, and a standard function that relates the standard spectral data to the true spectral data; and means for applying the idealized function, the standard spectral data and the standard function to future test spectral data to effect standardized spectral data.

Claim 39

The instrument of claim 34 further comprising means for obtaining operational spectral data for a standard sample with the operational condition, and means for storing the operational spectral data for inclusion with the means for applying for future application to test spectral data.

Claim 40

The instrument of claim 35 further comprising means for obtaining test spectral data for a test sample with the operational condition, means for relating the idealized function, the standard function, the standard spectral data and the operational spectral data with a transformation function, and means for computing standardized spectral information for the test sample corrected for the intrinsic distortion by application of the transformation function to the test spectral data.

Claim 41

The instrument of claim 36 wherein the idealized function J I , the standard function J 1 , the standard spectral data S 1 C and the operational spectral data S 2 C are related with the transformation function F by a first relationship F=(J I /J 1 )*(S 1C /S 2 C ), and the transformation function is applied to the test spectral data S 2 T to compute the standardized spectral information S I T by a second relationship S I T =S 2 T *F.

Claim 42

The instrument of claim 37 wherein the sample set includes a basic sample having predetermined fundamental spectral data S 0 B , and the instrument further comprises means for obtaining basic spectral data S 1 B for the basic sample with the standardizing condition, and means for determining the standard function J 1 by a further relationship J 1 =S 1 B /S 0 B .

Claim 43

The instrument of claim 34 wherein the sample set includes a basic sample having predetermined fundamental spectral data, and the instrument further comprises means for obtaining basic spectral data for the basic sample with the standardizing condition, and means for determining the standard function by a relationship with the basic spectral data and the fundamental spectral data.

Claim 44

The instrument of claim 34 wherein: the sample set includes a basic sample having predetermined fundamental spectral data S 0 B , and the means for establishing comprises means for obtaining basic spectral data S 1 B for the basic sample with the standardizing condition, and means for computing the standard function J 1 from a further relationship J 1 =S 1 B /S 0 B ; and the idealized function is a first idealized function J I associated with the operational condition, the instrument further comprises means for computing an intermediate relationship S I1 C =S 1 C *(J I1 /J 1 ) from the standard spectral data S 1 C , the means for storing stores computational components including the intermediate relationship S I1 C , the standard function J 1 and a second idealized function J I1 of spectral line shape for a hypothetically sharp spectral line, the second idealized function J I1 being associated with the standardizing condition and stored directly or in a computed form J I1 /J 1 .

Claim 45

The instrument of claim 40 further comprising means for obtaining operational spectral data S 2 C for a standard sample with the operational condition, means for computing a first relationship F=J I /[J I1 *(S 2 C /S I1 C )] from the stored computational components, and means for storing the first relationship for the future application to test spectral data to effect standardized spectral data.

Claim 46

The instrument of claim 41 wherein the transformation function is applied to the test spectral data S 2 T to compute the standardized spectral information S I T by a second relationship S I T =S 2 T *F.

Claim 47

The instrument of claim 34 wherein the standard function is a theoretical function.

Claim 48

The instrument of claim 34 wherein the optical component comprises an aperture stop in the optical train that introduces the intrinsic distortion relative to aperture size, the standardizing condition comprises a standardizing aperture having a first aperture size, and the operational condition comprises an operational aperture having a second aperture size.

Claim 49

The instrument of claim 44 wherein the optical train further includes an effective light source and a focusing means disposed to image the effective light source on the sample, the focusing means having a focal length f, the standardizing aperture having an effective diameter d, and the standard function J 1 being established by a further relationship J 1 =β 2 σ/8 where β=sin -1 (d/f) and σ is wavenumber for spectral data.

Claim 50

The instrument of claim 34 wherein the spectral means comprises interferometer means for effecting a time-scanned interference beam passed through the sample to effect the spectral beam, and the instrument further comprises means for obtaining spectral data by application of a Fourier transform computation to corresponding signal data.

Claim 51

The instrument of claim 46 further comprising means for obtaining operational spectral data for a standard sample with the operational condition, means for obtaining test spectral data for a test sample with the operational condition, means for relating the idealized function, the standard function, the standard spectral data and the operational spectral data with a transformation function, and means for computing standardized spectral information for the test sample corrected for the intrinsic distortion by application of the transformation function to the test spectral data, wherein: the idealized function has a profile with a width proportional to wavenumber, the idealized function is specified in logarithmic space independently of wavenumber, the standard function is established in logarithmic space independently of wavenumber, and each means for obtaining spectral data further comprises means for applying the Fourier transform computation to corresponding signal data to effect preliminary data, and means for computing a logarithm of the corresponding preliminary data to effect corresponding sample data in the logarithmic space, such that the transformation filter is defined in the logarithmic space; and the means for computing standardized spectral information comprises means for computing a logarithmic form of the test spectral data, means for multiplying the logarithmic form by the transformation filter to effect a transformed form of the test spectral data, and means for computing an anti-logarithm of the transformed form to effect the standardized spectral information.

Claim 52

The instrument of claim 47 wherein the idealized function J I , the standard function J 1 , the standard spectral data S 1 C and the operational spectral data S 2 C are related with the transformation function F by a first relationship F=(J I /J 1 )*(S 1 C /S 2 C ), and the transformation function is applied to the test spectral data S 2 T to compute the standardized spectral information S I T by a second relationship S I T =S 2 T *F.

Claim 53

The instrument of claim 48 wherein the idealized function is specified in logarithmic space by logarithmic conversion of a nominally rectangular profile with rounded corners.

Claim 54

A spectrometric instrument with standardizing of spectral information for a sample, wherein the instrument effects an intrinsic distortion into spectral data, the instrument comprising: an optical train with spectral means for effecting a spectral beam responsively to a sample such that the spectral beam is characteristic of the sample, detector means for detecting the spectral beam to effect signal data representative thereof, computing means receptive of the signal data for computing corresponding spectral information representative of the sample, and display means for displaying the spectral information, the sample being selectable from a sample set including a test sample and a standard sample formed of a substance having fundamental spectral data with a predetermined profile; means for storing the fundamental spectral data and a preselected idealized function for spectral line shape; and means for applying the fundamental spectral data and the idealized function to future test spectral data to effect standardized spectral data.

Claim 55

A spectrometric instrument with standardizing of spectral information for a sample, wherein the instrument effects an intrinsic distortion into spectral data, the instrument comprising: an optical train with spectral means for effecting a spectral beam responsively to a sample such that the spectral beam is characteristic of the sample, detector means for detecting the spectral beam to effect signal data representative thereof, computing means receptive of the signal data for computing corresponding spectral information representative of the sample, and display means for displaying the spectral information, the sample being selectable from a sample set including a test sample and a standard sample formed of a substance having fundamental spectral data with a predetermined profile; means for storing the fundamental spectral data and a preselected idealized function for spectral line shape; and means for applying the fundamental spectral data and the idealized function to future test spectral data to effect standardized spectral data.

Claim 56

The instrument of claim 50 further comprising means for obtaining operational spectral data for a standard sample, and means for storing the operational spectral data for inclusion with the means for applying for future application to test spectral data.

Claim 57

The instrument of claim 51 further comprising, without changing instrument conditions to change instrinsic distortion, means for operating the instrument to obtain test spectral data for a test sample, means for relating the idealized function, the fundamental spectral data and the standard spectral data with a transformation function, and means for computing standardized spectral information for the test sample corrected for the intrinsic distortion by application of the transformation function to the test spectral data.

Claim 58

The instrument of claim 52 wherein the idealized function J I , the fundamental spectral data S 0 C and the standard spectral data S 2 C are related with the transformation function F by a first relationship F=J I *(S 0 C /S 2 C ), and the transformation function is applied to the test spectral data S 2 T to compute the standardized spectral information S I T by a second relationship S I T =S 2 T *F.

Claim 59

The instrument of claim 50 wherein the spectral means comprises interferometer means for effecting a time-scanned interference beam passed through the sample to effect the spectral beam, and the instrument further comprises means for obtaining spectral data by application of a Fourier transform computation to corresponding signal data.

Claim 60

The instrument of claim 54 further comprising, without changing instrument conditions to change instrinsic distortion, means for obtaining operational spectral data for a standard sample, means for obtaining test spectral data for a test sample, means for relating the idealized function, the fundamental spectral data and the operational spectral data with a transformation function, and means for computing standardized spectral information for the test sample corrected for the intrinsic distortion by application of the transformation function to the test spectral data, wherein: the idealized function has a profile with a width proportional to wavenumber, the idealized function is specified in logarithmic space independently of wavenumber, and each means for obtaining spectral data further comprises means for applying the Fourier transform computation to corresponding signal data to effect preliminary data, and means for computing a logarithm of the corresponding preliminary data to effect corresponding sample data in the logarithmic space, such that the transformation filter is defined in the logarithmic space; and the means for computing standardized spectral information comprises means for computing a logarithmic form of the test spectral data, means for multiplying the logarithmic form by the transformation filter to effect a transformed form of the test spectral data, and means for computing an anti-logarithm of the transformed form to effect the standardized spectral information.

Claim 61

The instrument of claim 55 wherein the idealized function J I , the fundamental spectral data S 0 C and the standard spectral data S 2 C are related with the transformation function F by a first relationship F=J I *(S 0 C /S 2 C ), and the transformation function is applied to the test spectral data S 2 T to compute the standardized spectral information S I T by a second relationship S I T =S 2 T *F.

Claim 62

The instrument of claim 56 wherein the idealized function is specified in logarithmic space by logarithmic conversion of a nominally rectangular profile with rounded corners.

Claim 63

A computer readable storage medium for utilization to standardize spectral information for a sample in a spectrometric instrument that effects an intrinsic distortion into spectral data, the instrument including an optical train with spectral means for effecting a spectral beam responsively to a sample such that the spectral beam is characteristic of the sample, detector means for detecting the spectral beam to effect signal data representative thereof, and computing means receptive of the signal data for computing corresponding spectral information representative of the sample, the optical train including an optical component selectively having a standardizing condition or an operational condition, such condition having the intrinsic distortion associated therewith, the sample being selectable from a sample set including a test sample and one or more standard samples formed of a substance having true spectral data, operational spectral data being obtainable for a standard sample with the operational condition, test spectral data being obtainable for the test sample with the operational condition, and the storage medium having data code and program code embodied therein so as to be readable by the computing means; wherein: the data code comprises an idealized function for spectral line shape, and standard spectral data obtained for a standard sample with the standardizing condition, or a multiplication product of the idealized function and the standard spectral data; and the program code comprises means for establishing a standard function that relates the standard spectral data to the true spectral data, means for relating the idealized function, the standard function, the standard spectral data and the operational spectral data with a transformation function, and means for computing standardized spectral information for the test sample corrected for the intrinsic distortion by application of the transformation function to the test spectral data.

Claim 64

A computer readable storage medium for utilization to standardize spectral information for a sample in a spectrometric instrument that effects an intrinsic distortion into spectral data, the instrument including an optical train with spectral means for effecting a spectral beam responsively to a sample such that the spectral beam is characteristic of the sample, detector means for detecting the spectral beam to effect signal data representative thereof, and computing means receptive of the signal data for computing corresponding spectral information representative of the sample, the optical train including an optical component selectively having a standardizing condition or an operational condition, such condition having the intrinsic distortion associated therewith, the sample being selectable from a sample set including a test sample and one or more standard samples formed of a substance having true spectral data, operational spectral data being obtainable for a standard sample with the operational condition, test spectral data being obtainable for the test sample with the operational condition, and the storage medium having data code and program code embodied therein so as to be readable by the computing means; wherein: the data code comprises an idealized function for spectral line shape, and standard spectral data obtained for a standard sample with the standardizing condition, or a multiplication product of the idealized function and the standard spectral data; and the program code comprises means for establishing a standard function that relates the standard spectral data to the true spectral data, means for relating the idealized function, the standard function, the standard spectral data and the operational spectral data with a transformation function, and means for computing standardized spectral information for the test sample corrected for the intrinsic distortion by application of the transformation function to the test spectral data.

Claim 65

The storage medium of claim 58 wherein the idealized function J I , the standard function J 1 , the standard spectral data S 1 C and the operational spectral data S 2 C are related with the transformation function F by a first relationship F=(J I /J 1 )*(S 1 C /S 2 C ), and the means for computing applies the transformation function to the test spectral data S 2 T to compute the standardized spectral information S I T by a second relationship S I T =S 2 T *F.

Claim 66

The storage medium of claim 59 wherein the data code further comprises fundamental spectral data S 0 B for a basic sample, and basic spectral data S 1 B obtained for the basic sample with the standardizing condition, and the means for establishing the standard function J 1 comprises relating the basic spectral data to the fundamental spectral data by a further relationship J 1 =S 1 B /S 0 B .

Claim 67

The storage medium of claim 58 wherein the data code further comprises fundamental spectral data for a basic sample, and basic spectral data obtained for the basic sample with the standardizing condition, and the means for establishing the standard function comprises relating the basic spectral data to the fundamental spectral data.

Claim 68

The storage medium of claim 58 wherein: the data code further comprises fundamental spectral data S 0 B for a basic sample, and basic spectral data S 1 B obtained for the basic sample with the standardizing condition, and the means for establishing the standard function J 1 comprises relating the basic spectral data to the fundamental spectral data by a further relationship J 1 =S 1 B /S 0 B ; and the idealized function is a first idealized function J I associated with the operational condition, the program code further comprises means for computing an intermediate relationship S I1 C =S 1 C *(J I1 /J 1 ) from the standard spectral data S 1 C , and means for storing computational components including the intermediate relationship S I1 C , the standard function J 1 and a second idealized function J I1 of spectral line shape for a hypothetically sharp spectral line, the second idealized function J I1 being associated with the standardizing condition and stored directly or in a computed form J I1 /J 1 .

Claim 69

The storage medium of claim 62 wherein the program code further comprises means for storing operational spectral data S 2 C for a standard sample with the operational condition, means for computing a first relationship F=J I /[J I1 *(S 2 C /S I1 C )] from the stored computational components, and means for storing the first relationship for the future application to test spectral data to effect standardized spectral data.

Claim 70

The storage medium of claim 63 wherein the means for computing applies the transformation function to the test spectral data S 2 T to compute the standardized spectral information S I T by a second relationship S I T =S 2 T *F.

Claim 71

The storage medium of claim 58 wherein the standard function is a theoretical function.

Claim 72

The storage medium of claim 58 wherein: the spectral means comprises interferometer means for effecting a time-scanned interference beam passed through the sample to effect the spectral beam, the instrument further comprises means for obtaining spectral data by application of a Fourier transform computation to corresponding signal data, the idealized function has a profile with a width proportional to wavenumber, the idealized function is specified in logarithmic space independently of wavenumber, the standard function is established in logarithmic space independently of wavenumber, and each means for obtaining spectral data further comprises means for applying the Fourier transform computation to corresponding signal data to effect preliminary data; the program code further comprises means for computing a logarithm of the corresponding preliminary data to effect corresponding sample data in the logarithmic space, such that the transformation filter is defined in the logarithmic space; and the means for computing standardized spectral information comprises means for computing a logarithmic form of the test spectral data, means for multiplying the logarithmic form by the transformation filter to effect a transformed form of the test spectral data, and means for computing an anti-logarithm of the transformed form to effect the standardized spectral information.

Claim 73

The storage medium of claim 66 wherein the idealized function J I , the standard function J 1 , the standard spectral data s 1 C and the operational spectral data S 2 C are related with the transformation function F by a first relationship F=(J I J 1 )*((S 1 C /S 2 C ), and the transformation function is applied to the test spectral data S 2 T to compute the standardized spectral information S I T by a second relationship S I T =S 2 T *F.

Claim 74

The storage medium of claim 67 wherein the data code further comprises fundamental spectral data S 0 B for a basic sample, and basic spectral data S 1 B obtained for the basic sample with the standardizing condition, and the means for establishing the standard function J 1 comprises relating the basic spectral data to the fundamental spectral data by a further relationship J 1 =S 1 B /S 0 B .

Claim 75

The storage medium of claim 68 wherein the transformation function includes an apodization, the spectral means comprises interferometer means for effecting a time-scanned interference beam passed through the sample to effect the spectral beam, the instrument further comprises means for obtaining spectral data by application of a Fourier transform computation to corresponding signal data, the idealized function has a profile with a width proportional to wavenumber, the idealized function is specified in logarithmic space independently of wavenumber, the standard function is established in logarithmic space independently of wavenumber, and each means for obtaining spectral data further comprises means for applying the Fourier transform computation to corresponding signal data to effect preliminary data; the program code further comprises means for computing a logarithm of the corresponding preliminary data to effect corresponding sample data in the logarithmic space, such that the transformation filter is defined in the logarithmic space; the means for computing standardized spectral information comprises means for computing a logarithmic form of the test spectral data, means for multiplying the logarithmic form by the transformation filter to effect a transformed form of the test spectral data, and means for computing an anti-logarithm of the transformed form to effect the standardized spectral information; and the fundamental spectral data is in a form that is apodized, interpolated, logarithm applied and axis shifted.

Claim 76

A computer readable storage medium for utilization to standardize spectral information for a sample in a spectrometric instrument that effects an intrinsic distortion into spectral data, the instrument including an optical train with spectral means for effecting a spectral beam responsively to a sample such that the spectral beam is characteristic of the sample, detector means for detecting the spectral beam to effect signal data representative thereof, and computing means receptive of the signal data for computing corresponding spectral information representative of the sample, the sample being selectable from a sample set including a test sample and a standard sample formed of a substance having fundamental spectral data with a predetermined profile, operational spectral data being obtainable for a standard sample with the instrument, test spectral data being obtainable for the test sample with the instrument, and the storage medium having data code and program code embodied therein so as to be readable by the computing means; wherein: the data code comprises an idealized function for spectral line shape, and fundamental spectral data for a standard sample, or a multiplication product of the idealized function and the fundamental spectral data; and the program code comprises means for relating the idealized function, the standard spectral data and the operational spectral data with a transformation function, and means for computing standardized spectral information for the test sample corrected for the intrinsic distortion by application of the transformation function to the test spectral data.

Claim 77

A computer readable storage medium for utilization to standardize spectral information for a sample in a spectrometric instrument that effects an intrinsic distortion into spectral data, the instrument including an optical train with spectral means for effecting a spectral beam responsively to a sample such that the spectral beam is characteristic of the sample, detector means for detecting the spectral beam to effect signal data representative thereof, and computing means receptive of the signal data for computing corresponding spectral information representative of the sample, the sample being selectable from a sample set including a test sample and a standard sample formed of a substance having fundamental spectral data with a predetermined profile, operational spectral data being obtainable for a standard sample with the instrument, test spectral data being obtainable for the test sample with the instrument, and the storage medium having data code and program code embodied therein so as to be readable by the computing means; wherein: the data code comprises an idealized function for spectral line shape, and fundamental spectral data for a standard sample, or a multiplication product of the idealized function and the fundamental spectral data; and the program code comprises means for relating the idealized function, the standard spectral data and the operational spectral data with a transformation function, and means for computing standardized spectral information for the test sample corrected for the intrinsic distortion by application of the transformation function to the test spectral data.

Claim 78

The storage medium of claim 70 wherein the idealized function J I , the fundamental spectral data S 0 C and the standard spectral data S 2 C are related with the transformation function F by a first relationship F=J I *(S 0 C /S 2 C ), and the transformation function is applied to the test spectral data S 2 T to compute the standardized spectral information S I T by a second relationship S I T =S 2 T *F.

Claim 79

The storage medium of claim 70 wherein: the spectral means comprises interferometer means for effecting a time-scanned interference beam passed through the sample to effect the spectral beam, the instrument further comprises means for obtaining spectral data by application of a Fourier transform computation to corresponding signal data, the idealized function has a profile with a width proportional to wavenumber, the idealized function is specified in logarithmic space independently of wavenumber, the standard function is established in logarithmic space independently of wavenumber, and each means for obtaining spectral data further comprises means for applying the Fourier transform computation to corresponding signal data to effect preliminary data; the program code further comprises means for computing a logarithm of the corresponding preliminary data to effect corresponding sample data in the logarithmic space, such that the transformation filter is defined in the logarithmic space; and and the means for computing standardized spectral information comprises means for computing a logarithmic form of the test spectral data, means for multiplying the logarithmic form by the transformation filter to effect a transformed form of the test spectral data, and means for computing an anti-logarithm of the transformed form to effect the standardized spectral information.

Claim 80

The storage medium of claim 72 wherein the idealized function J I , the fundamental spectral data S 0 C and the standard spectral data S 2 C are related with the transformation function F by a first relationship F=J I *(S 0 C /S 2 C ), and the transformation function is applied to the test spectral data S 2 T to compute the standardized spectral information S I T by a second relationship S I T =S 2 T *F.

Claim 81

A computer readable storage medium for utilization to standardize spectral information for a sample in a spectrometric instrument that effects an intrinsic distortion into spectral data, the instrument including an optical train with spectral means for effecting a spectral beam responsively to a sample such that the spectral beam is characteristic of the sample, detector means for detecting the spectral beam to effect signal data representative thereof, and computing means receptive of the signal data for computing corresponding spectral information representative of the sample, the optical train including an optical component selectively having a standardizing condition or an operational condition, such condition having the intrinsic distortion associated therewith, the sample being selectable from a sample set including a test sample and one or more standard samples, operational spectral data being obtainable for a standard sample with the operational condition, test spectral data being obtainable for the test sample with the operational condition, and the storage medium having data code embodied therein so as to be readable by the computing means; wherein: the data code comprises an idealized function for spectral line shape associated with the standardizing condition, and standard spectral data obtained for a standard sample with the standardizing condition, the idealized function and the standard spectral data having a cooperative relationship for application to the test spectral data.

Claim 82

A computer readable storage medium for utilization to standardize spectral information for a sample in a spectrometric instrument that effects an intrinsic distortion into spectral data, the instrument including an optical train with spectral means for effecting a spectral beam responsively to a sample such that the spectral beam is characteristic of the sample, detector means for detecting the spectral beam to effect signal data representative thereof, and computing means receptive of the signal data for computing corresponding spectral information representative of the sample, the optical train including an optical component selectively having a standardizing condition or an operational condition, such condition having the intrinsic distortion associated therewith, the sample being selectable from a sample set including a test sample and one or more standard samples, operational spectral data being obtainable for a standard sample with the operational condition, test spectral data being obtainable for the test sample with the operational condition, and the storage medium having data code embodied therein so as to be readable by the computing means; wherein: the data code comprises an idealized function for spectral line shape associated with the standardizing condition, and standard spectral data obtained for a standard sample with the standardizing condition, the idealized function and the standard spectral data having a cooperative relationship for application to the test spectral data.

Claim 83

The storage medium of claim 74 wherein the idealized function is a second idealized function J I1 for spectral line shape associated with the standardizing condition, the computing means has potentially stored therein a first idealized function J I for spectral line shape associated with the operational condition, and the second idealized function and the test spectral data S 1 C have the cooperative relationship S I1 C =S 1 C *(J I1 /J 1 ).

Claim 84

A computer readable storage medium for utilization in standardizing spectral information for a sample in a spectrometric instrument that effects an intrinsic distortion into spectral data, the instrument including computing means receptive of the signal data for computing corresponding spectral information representative of the sample, and the sample being selectable from a sample set including a test sample and a basic sample, wherein the storage medium has data code embodied therein so as to be readable by the computing means, and the data code comprises fundamental spectral data for the basic sample, the fundamental spectral data being in a form that is apodized, interpolated, logarithm applied and axis shifted.

Claim 85

A computer readable storage medium for utilization in standardizing spectral information for a sample in a spectrometric instrument that effects an intrinsic distortion into spectral data, the instrument including computing means receptive of the signal data for computing corresponding spectral information representative of the sample, and the sample being selectable from a sample set including a test sample and a basic sample, wherein the storage medium has data code embodied therein so as to be readable by the computing means, and the data code comprises fundamental spectral data for the basic sample, the fundamental spectral data being in a form that is apodized, interpolated, logarithm applied and axis shifted.

Claim 88

The method of claim 77 wherein: the idealized function has a profile with a width proportional to wavenumber, the idealized function is specified in logarithmic space independently of wavenumber, the square of the aperture radius is representative of aperture size, the size derivative is with respect to said square, and the function of the spectral wavenumber is a logarithm of the wavenumber; the step of obtaining spectral data comprises applying the Fourier transform computation to corresponding signal data to effect preliminary data, and computing a logarithm of the corresponding preliminary data to effect corresponding sample data in the logarithmic space, such that the transformation filter is defined in the logarithmic space; and the step of computing standardized spectral information comprises computing a logarithmic form of the test spectral data, multiplying the logarithmic form by the transformation filter to effect a transformed form of the test spectral data, and computing an anti-logarithm of the transformed form to effect the standardized spectral information.

Claim 89

A spectrometric instrument with standardizing of spectral information for a sample, wherein the instrument effects an intrinsic distortion into spectral data, the instrument comprising: an optical train with interferometer means for effecting a time-scanned interference beam characteristic of the sample, detector means for detecting the interference beam to effect either a total of energy data or signal data representative of the sample, computing means receptive of the signal data for computing corresponding spectral information representative of the sample by applying a Fourier transform computation to corresponding signal data, and display means for displaying the spectral information, the optical train including an aperture stop that introduces the intrinsic distortion relative to aperture size, the aperture stop being variable in size, and the intrinsic distortion being represented by a characterizing function; means for storing an idealized function for spectral line shape, and a transformation function relating the idealized function and a characterizing function; means for operating the instrument with a series of aperture sizes to effect corresponding energy data, means for computing a size derivative of the energy data with respect to aperture size, and means for converting the derivative to a wavenumber derivative of the energy data with respect to a function of spectral wavenumber such that the wavenumber derivative is the characterizing function; and means for obtaining spectral data for a sample, and means for computing standardized spectral information for the sample corrected for the intrinsic distortion by application of the transformation function to the test spectral data.

Claim 90

A spectrometric instrument with standardizing of spectral information for a sample, wherein the instrument effects an intrinsic distortion into spectral data, the instrument comprising: an optical train with interferometer means for effecting a time-scanned interference beam characteristic of the sample, detector means for detecting the interference beam to effect either a total of energy data or signal data representative of the sample, computing means receptive of the signal data for computing corresponding spectral information representative of the sample by applying a Fourier transform computation to corresponding signal data, and display means for displaying the spectral information, the optical train including an aperture stop that introduces the intrinsic distortion relative to aperture size, the aperture stop being variable in size, and the intrinsic distortion being represented by a characterizing function; means for storing an idealized function for spectral line shape, and a transformation function relating the idealized function and a characterizing function; means for operating the instrument with a series of aperture sizes to effect corresponding energy data, means for computing a size derivative of the energy data with respect to aperture size, and means for converting the derivative to a wavenumber derivative of the energy data with respect to a function of spectral wavenumber such that the wavenumber derivative is the characterizing function; and means for obtaining spectral data for a sample, and means for computing standardized spectral information for the sample corrected for the intrinsic distortion by application of the transformation function to the test spectral data.

Claim 91

The instrument of claim 79 wherein: the idealized function has a profile with a width proportional to wavenumber, the idealized function is specified in logarithmic space independently of wavenumber, the square of the aperture radius is representative of aperture size, the size derivative is with respect to said square, and the function of the spectral wavenumber is a logarithm of the wavenumber; and the means for obtaining spectral data comprises means for applying the Fourier transform computation to corresponding signal data to effect preliminary data, and means for computing a logarithm of the corresponding preliminary data to effect corresponding sample data in the logarithmic space, such that the transformation filter is defined in the logarithmic space; and the means for computing standardized spectral information comprises means for computing a logarithmic form of the test spectral data, means for multiplying the logarithmic form by the transformation filter to effect a transformed form of the test spectral data, and means for computing an anti-logarithm of the transformed form to effect the standardized spectral information.