Matrix Science header

resfile_input.cs

Example program for retrieving input spectrum data.

/*
##############################################################################
# file: resfile_input.cs                                                     #
# 'msparser' toolkit example code                                            #
##############################################################################
# COPYRIGHT NOTICE                                                           #
# Copyright 1998-2015 Matrix Science Limited  All Rights Reserved.           #
#                                                                            #
##############################################################################
#    $Source: /vol/cvsroot/parser/examples/test_csharp/resfile_input.cs,v $                                #
#     $Author: patricke $                                                    #
#       $Date: 2015/07/31 14:38:19 $                                         #
#   $Revision: 1.2 $                                                         #
# $NoKeywords::                                                            $ #
##############################################################################
*/

using System;
using matrix_science.msparser;

namespace MsParserExamples
{
    public class resfile_input
    {
        public static void Main(string[] argv)
        {
            // ----- Object creation -----
            if (argv.Length < 1)
            {
                Console.WriteLine("Must specify results filename as parameter");
                return;
            }
             ms_mascotresfile file = new ms_mascotresfile(argv[0], 0, "");
             if (file.isValid())
             {
                 inputData(file);
             }
             else
             {
                 Console.WriteLine("Error number: {0}", file.getLastError());
                 Console.WriteLine("Error string: {0}", file.getLastErrorString());
                 return;
             }

        }

        private static void inputData(ms_mascotresfile file)
        {
            int i, j, num_peaks;

            // display input data via inputquery get functions
            for (i = 1; i <= 1; i++)
            {
                Console.WriteLine("Input data for query number {0}", i);
                Console.WriteLine("=========================================");
                ms_inputquery q = new ms_inputquery(file, i);
                Console.WriteLine("      title       : {0}", q.getStringTitle(true));
                Console.WriteLine("      mass_min    : {0}", q.getMassMin());
                Console.WriteLine("      mass_max    : {0}", q.getMassMax());
                Console.WriteLine("      int_min     : {0}", q.getIntMin());
                Console.WriteLine("      int_max     : {0}", q.getIntMax());
                Console.WriteLine("      num_vals    : {0}", q.getNumVals());
                Console.WriteLine("      num_used1   : {0}", q.getNumUsed());
                Console.WriteLine("      ions1       : {0}", q.getStringIons1());
                Console.WriteLine("      ions2       : {0}", q.getStringIons2());
                Console.WriteLine("      ions3       : {0}", q.getStringIons3());
                Console.WriteLine("      peptol      : {0}", q.getPepTol());
                Console.WriteLine("      peptol units: {0}", q.getPepTolUnits());
                Console.WriteLine("      peptol str  : {0}", q.getPepTolString());
                Console.WriteLine("      INSTRUMENT  : {0}", q.getINSTRUMENT());
                Console.WriteLine("      RULES       : {0}", q.getRULES());
                Console.WriteLine("      IT_MODS     : {0}", q.getIT_MODS());
                Console.WriteLine("      repeat srch : {0}", file.getRepeatSearchString(i));

                num_peaks = q.getNumberOfPeaks(1);
                for (j = 1; j <= num_peaks; j++)
                {
                    Console.WriteLine("{0:#}, {1:#}",q.getPeakMass(1,j), q.getPeakIntensity(1,j));
                }

            }
        }
    }
}

/*
resfile_input.exe c:\inetpub\mascot\data\F981123.dat >resfile_input_output.txt
Will give the following output:

Input data for query number 1
=========================================
      title       : 
      mass_min    : 72.09
      mass_max    : 1711.52
      int_min     : 1.103
      int_max     : 80.7
      num_vals    : 425
      num_used1   : 0
      ions1       : 157.096962:23.72,185.160000:26.69,286.134951:80.7,385.210000:13.49,480.270000:4.363,129.102412:18.84,187.070000:22.51,354.189124:13.57,399.246727:9.489,482.140542:3.205,130.110251:9.257,258.132661:15.93,357.210000:13.57,443.810000:6.256,481.210000:3.182,136.070000:7.387,213.139215:13.84,371.204929:11.24,459.280000:6.216,489.233770:3.157,147.117662:6.333,229.120000:9.72,326.133204:5.268,423.125582:4.262,483.115000:2.205,159.080000:5.222,240.130000:7.562,298.110000:5.231,444.168974:3.247,474.300000:1.103,158.090000:4.301,270.180000:7.432,324.170000:5.17,411.200000:3.23,475.270000:1.103,86.110000:3.276,175.110000:7.308,312.150879:4.235,463.265712:3.205,476.700000:1.103,102.060000:3.276,241.085275:5.361,293.110000:4.178,445.810000:3.182,478.180000:1.103,115.088725:3.255,243.139772:4.378,353.155308:4.149,401.150000:3.138,486.880000:1.103,72.090000:2.174,76.400000:1.103,84.075000:2.111,87.110000:1.103,88.100000:1.103,98.060000:1.103,103.060000:1.103,105.070000:1.103,116.070000:1.103,117.110000:1.103,118.400000:1.103,120.090000:2.205,126.070000:1.103,127.090000:1.103,128.090000:2.103,131.085000:2.118,132.090000:1.103,135.800000:1.103,137.080000:1.103,138.070000:1.103,139.090000:1.103,140.150000:2.174,141.060000:2.174,143.120000:2.174,146.080000:1.103,152.060000:1.103,155.070000:2.205,156.100000:1.103,159.450000:1.103,165.080000:2.136,166.110000:1.103,167.110000:1.103,169.710000:1.103,170.450000:1.103,171.090000:1.103,173.120000:2.174,177.090000:1.103,178.080000:1.103,181.160000:1.103,182.030000:1.103,183.110000:2.174,183.930000:1.103,186.131024:4.374,188.070000:1.103,188.760000:1.103,189.070000:1.103,190.065000:2.103,191.300000:1.103,197.130000:1.103,199.180000:1.103,200.080000:1.103,201.100000:3.138,202.110000:2.091,203.080000:2.174,203.610000:1.103,211.140000:4.189,212.115000:2.103,212.490000:1.103,214.985000:2.205,216.110000:2.103,217.100000:1.103,218.080000:1.103,219.090000:2.103,223.090000:3.154,224.130000:1.103,225.130000:1.103,227.170000:1.103,227.880000:1.103,228.170000:2.136,229.760000:1.103,231.950000:1.103,233.130000:1.103,234.430000:1.103,235.080000:2.103,236.590000:1.103,238.080000:4.332,239.139997:3.131,242.170000:2.205,244.090000:2.136,244.430000:2.091,245.165685:3.205,246.160000:2.197,247.110000:2.102,248.145000:2.118,249.110000:2.136,250.080000:1.103,251.160000:1.103,253.100000:1.103,254.130000:1.103,255.165000:2.22,256.170000:1.103,257.060000:1.103,259.150000:2.197,260.000000:1.103,260.490000:1.103,262.110000:1.103,265.120000:1.103,266.130000:2.159,266.950000:1.103,267.210000:1.103,268.120000:3.214,269.090000:1.103,271.150000:2.136,272.170000:2.103,274.120000:1.103,275.030000:1.103,276.175000:2.22,278.190000:1.103,279.720000:2.205,281.120000:1.103,283.070000:1.103,284.110000:1.103,285.070000:1.103,287.140000:3.296,287.780000:1.103,288.090000:2.103,290.130000:1.103,294.110000:2.174,295.150000:3.114,295.730000:1.103,297.180000:2.136,300.160000:3.143,302.070000:1.103,303.160000:1.103,303.590000:1.103,304.600000:1.103,305.130000:1.103,306.140000:3.182,307.050000:1.103,308.150000:2.174,308.490000:1.103,312.610000:1.103,312.880000:1.103,314.120000:1.103,316.085000:2.111,317.150000:3.183,318.140000:1.103,320.140000:1.103,322.149731:3.255,323.034482:3.149,327.020000:1.103,328.020000:1.103,331.140000:2.091,332.165000:2.103,333.140000:1.103,335.500000:1.103,336.190000:1.103,337.030000:2.118,338.620000:1.103,338.940000:1.103,339.200000:3.261,341.210000:2.103,342.180000:1.103,342.800000:1.103,343.225000:2.111,343.800000:1.103,344.150000:2.174,346.010000:1.103,347.660000:1.103,348.200000:2.197,349.800000:1.103,350.110000:2.118,351.130000:3.276,352.130000:2.136,353.910000:1.103,354.470000:1.103,355.193955:3.376,358.200000:1.103,359.210000:2.174,359.910000:1.103,360.470000:1.103,361.080000:1.103,362.190000:1.103,363.040000:1.103,364.080000:1.103,366.120000:1.103,367.150000:1.103,368.330000:1.103,368.730000:1.103,369.230000:3.15,369.820000:1.103,370.177065:3.279,373.130000:2.197,374.055000:2.217,374.510000:2.205,376.040000:1.103,377.040000:1.103,380.160000:2.103,382.180000:3.102,383.115000:2.209,385.890000:2.205,386.370000:1.103,387.170000:3.114,387.680000:2.217,388.050000:1.103,389.620000:1.103,390.190000:1.103,390.610000:1.103,394.260000:1.103,395.180000:1.103,396.140000:2.205,397.980000:1.103,400.165000:2.209,403.210000:1.103,404.150000:1.103,404.470000:1.103,410.165000:2.111,411.550000:1.103,413.240000:1.103,414.080000:1.103,415.000000:1.103,416.190000:1.103,416.830000:1.103,417.230000:1.103,417.760000:1.103,418.285000:2.111,418.680000:1.103,420.650000:1.103,421.170000:2.136,422.580000:1.103,425.215000:2.103,425.690000:1.103,426.220000:3.125,428.140000:2.155,428.650000:1.103,430.260000:1.103,430.995000:2.205,433.200000:1.103,433.690000:1.103,435.000000:1.103,435.260000:1.103,437.180000:1.103,438.710000:2.174,439.230000:1.103,440.210000:1.103,442.190000:1.103,443.120000:1.103,444.680000:1.103,445.120000:1.103,449.110000:1.103,450.710000:1.103,452.150000:2.209,453.240000:3.12,454.200000:1.103,454.700000:1.103,458.310000:1.103,460.290000:1.103,461.250000:1.103,461.830000:1.103,462.195000:2.103,463.850000:1.103,464.250000:1.103,467.180000:2.174,470.210000:1.103,471.120000:1.103,489.700000:1.103,493.200000:1.103,494.200000:1.103,505.200000:1.103,508.170000:2.197,508.840000:1.103,509.200000:2.103,511.450000:1.103,522.170000:2.197,523.190000:1.103,524.150000:2.174,527.160000:1.103,528.410000:2.19,529.280000:1.103,530.230000:1.103,531.250000:1.103,533.130000:1.103,533.670000:1.103,536.720000:1.103,537.240000:1.103,538.080000:1.103,538.450000:1.103,540.220000:1.103,545.210000:2.174,545.490000:1.103,546.250000:1.103,547.350000:1.103,550.750000:2.205,558.070000:1.103,561.360000:1.103,562.200000:1.103,563.330000:1.103,568.230000:1.103,571.290000:3.136,573.010000:1.103,575.410000:1.103,580.240000:1.103,581.260000:1.103,585.160000:1.103,588.380000:1.103,590.120000:1.103,599.450000:1.103,605.210000:2.197,607.285000:4.499,608.270000:3.143,613.330000:2.103,614.330000:1.103,617.320000:1.103,621.230000:1.103,622.310000:1.103,625.320000:3.23,626.210000:1.103,633.275000:2.205,640.350000:1.103,642.220000:1.103,644.280000:1.103,646.250000:1.103,648.390000:1.103,651.335000:2.103,653.360000:2.136,658.300000:1.103,662.320000:1.103,663.800000:1.103,668.275000:2.209,674.370000:1.103,676.090000:1.103,677.350000:1.103,678.070000:1.103,683.370000:1.103,684.920000:1.103,685.380000:2.091,686.390000:1.103,701.410000:1.103,702.380000:7.387,703.420000:3.12,707.360000:1.103,713.340000:1.103,718.370000:2.197,720.400000:1.103,724.180000:1.103,728.390000:1.103,734.380000:1.103,735.430000:1.103,736.360000:1.103,737.310000:1.103,741.070000:1.103,745.480000:1.103,747.290000:1.103,748.320000:1.103,754.358237:6.383,755.370000:2.136,760.490000:1.103,765.360000:1.103,767.500000:1.103,770.370000:1.103,775.230000:1.103,778.490000:1.103,792.360000:1.103,796.420000:1.103,801.380000:1.103,814.390000:2.118,815.390000:1.103,816.410000:1.103,820.470000:1.103,825.350000:1.103,841.510000:1.103,848.450000:1.103,883.450000:1.103,884.470000:1.103,896.410000:1.103,907.420000:1.103,908.430000:1.103,916.380000:1.103,1074.300000:1.103,1092.600000:1.103,1164.300000:1.103,1231.540000:1.103,1397.690000:1.103,1660.400000:1.103,1711.520000:1.103
      ions2       : 
      ions3       : 
      peptol      : 0
      peptol units: 
      peptol str  : 
      INSTRUMENT  : 
      RULES       : 
      IT_MODS     : 
      repeat srch : 497.265612 from(498.272888,1+) query(1)
157, 24
185, 27
286, 81
385, 13
480, 4
129, 19
187, 23
354, 14
399, 9
482, 3
130, 9
258, 16
357, 14
444, 6
481, 3
136, 7
213, 14
371, 11
459, 6
489, 3
147, 6
229, 10
326, 5
423, 4
483, 2
159, 5
240, 8
298, 5
444, 3
474, 1
158, 4
270, 7
324, 5
411, 3
475, 1
86, 3
175, 7
312, 4
463, 3
477, 1
102, 3
241, 5
293, 4
446, 3
478, 1
115, 3
243, 4
353, 4
401, 3
487, 1
72, 2
76, 1
84, 2
87, 1
88, 1
98, 1
103, 1
105, 1
116, 1
117, 1
118, 1
120, 2
126, 1
127, 1
128, 2
131, 2
132, 1
136, 1
137, 1
138, 1
139, 1
140, 2
141, 2
143, 2
146, 1
152, 1
155, 2
156, 1
159, 1
165, 2
166, 1
167, 1
170, 1
170, 1
171, 1
173, 2
177, 1
178, 1
181, 1
182, 1
183, 2
184, 1
186, 4
188, 1
189, 1
189, 1
190, 2
191, 1
197, 1
199, 1
200, 1
201, 3
202, 2
203, 2
204, 1
211, 4
212, 2
212, 1
215, 2
216, 2
217, 1
218, 1
219, 2
223, 3
224, 1
225, 1
227, 1
228, 1
228, 2
230, 1
232, 1
233, 1
234, 1
235, 2
237, 1
238, 4
239, 3
242, 2
244, 2
244, 2
245, 3
246, 2
247, 2
248, 2
249, 2
250, 1
251, 1
253, 1
254, 1
255, 2
256, 1
257, 1
259, 2
260, 1
260, 1
262, 1
265, 1
266, 2
267, 1
267, 1
268, 3
269, 1
271, 2
272, 2
274, 1
275, 1
276, 2
278, 1
280, 2
281, 1
283, 1
284, 1
285, 1
287, 3
288, 1
288, 2
290, 1
294, 2
295, 3
296, 1
297, 2
300, 3
302, 1
303, 1
304, 1
305, 1
305, 1
306, 3
307, 1
308, 2
308, 1
313, 1
313, 1
314, 1
316, 2
317, 3
318, 1
320, 1
322, 3
323, 3
327, 1
328, 1
331, 2
332, 2
333, 1
336, 1
336, 1
337, 2
339, 1
339, 1
339, 3
341, 2
342, 1
343, 1
343, 2
344, 1
344, 2
346, 1
348, 1
348, 2
350, 1
350, 2
351, 3
352, 2
354, 1
354, 1
355, 3
358, 1
359, 2
360, 1
360, 1
361, 1
362, 1
363, 1
364, 1
366, 1
367, 1
368, 1
369, 1
369, 3
370, 1
370, 3
373, 2
374, 2
375, 2
376, 1
377, 1
380, 2
382, 3
383, 2
386, 2
386, 1
387, 3
388, 2
388, 1
390, 1
390, 1
391, 1
394, 1
395, 1
396, 2
398, 1
400, 2
403, 1
404, 1
404, 1
410, 2
412, 1
413, 1
414, 1
415, 1
416, 1
417, 1
417, 1
418, 1
418, 2
419, 1
421, 1
421, 2
423, 1
425, 2
426, 1
426, 3
428, 2
429, 1
430, 1
431, 2
433, 1
434, 1
435, 1
435, 1
437, 1
439, 2
439, 1
440, 1
442, 1
443, 1
445, 1
445, 1
449, 1
451, 1
452, 2
453, 3
454, 1
455, 1
458, 1
460, 1
461, 1
462, 1
462, 2
464, 1
464, 1
467, 2
470, 1
471, 1
490, 1
493, 1
494, 1
505, 1
508, 2
509, 1
509, 2
511, 1
522, 2
523, 1
524, 2
527, 1
528, 2
529, 1
530, 1
531, 1
533, 1
534, 1
537, 1
537, 1
538, 1
538, 1
540, 1
545, 2
545, 1
546, 1
547, 1
551, 2
558, 1
561, 1
562, 1
563, 1
568, 1
571, 3
573, 1
575, 1
580, 1
581, 1
585, 1
588, 1
590, 1
599, 1
605, 2
607, 4
608, 3
613, 2
614, 1
617, 1
621, 1
622, 1
625, 3
626, 1
633, 2
640, 1
642, 1
644, 1
646, 1
648, 1
651, 2
653, 2
658, 1
662, 1
664, 1
668, 2
674, 1
676, 1
677, 1
678, 1
683, 1
685, 1
685, 2
686, 1
701, 1
702, 7
703, 3
707, 1
713, 1
718, 2
720, 1
724, 1
728, 1
734, 1
735, 1
736, 1
737, 1
741, 1
745, 1
747, 1
748, 1
754, 6
755, 2
760, 1
765, 1
768, 1
770, 1
775, 1
778, 1
792, 1
796, 1
801, 1
814, 2
815, 1
816, 1
820, 1
825, 1
842, 1
848, 1
883, 1
884, 1
896, 1
907, 1
908, 1
916, 1
1074, 1
1093, 1
1164, 1
1232, 1
1398, 1
1660, 1
1712, 1
*/
Copyright © 2016 Matrix Science Ltd.  All Rights Reserved. Generated on Fri Jun 2 2017 01:44:50