I cant see that the complement is more or less correct than your input
value!
This happens because for cntric reflections a symmetry equivalent of
-h,-k,-l is equal to h k l - that is a way of defining them..
Here 4 k l is equiv to -4 -k l and the Friedel pair of that is 4 k -l
When k=l=0 the reflection and its Friedel pair are the same
So it makes no difference to the map or anything else whether you give a
phase of 179 or 181
eleanor
Jens T Kaiser wrote:
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Dear BB,
I have a problem importing ASCII data into CCP4. I have data in
p212121 and for some reason (long explanation omitted) my centric
phases are not precisely 0/90/270/360. When I import them (using the
GUI) they are assigned their "complement" (see below for examples) all
others are imported as they are.
While I'm aware that "my" phases are not correct, importing should
not touch my data (except, perhaps, put it in the right asymmetric
unit) and the phases I get out are obviously "less correct" than the
ones I put in. Does anybody have an idea what's going on there?
Thanks,
Jens
As you can see, imported and original phases add up to 0/90/180 for
centric reflections, the beginning of non centrics is also shown to
show that they are not modified.
ORIGINAL | IMPORTED
_________________________________L______________________________
4 0 0 46817.72 179.26 | 4 0 0 46817.72 180.74
6 0 0 10194.89 0.29 | 6 0 0 10194.89 359.71
8 0 0 9551.15 181.32 | 8 0 0 9551.15 178.68
10 0 0 13457.45 357.64 | 10 0 0 13457.45 2.36
1 1 0 4983.23 269.39 | 1 1 0 4983.23 270.61
2 1 0 1554.06 357.36 | 2 1 0 1554.06 2.64
3 1 0 12023.17 268.61 | 3 1 0 12023.17 271.39
4 1 0 17250.62 165.82 | 4 1 0 17250.62 194.18
5 1 0 7312.37 108.79 | 5 1 0 7312.37 71.21
6 1 0 23058.85 2.66 | 6 1 0 23058.85 357.34
7 1 0 8199.65 94.46 | 7 1 0 8199.65 85.54
8 1 0 20754.58 179.90 | 8 1 0 20754.58 180.10
9 1 0 422.49 105.93 | 9 1 0 422.49 74.07
10 1 0 14328.77 1.06 | 10 1 0 14328.77 358.94
11 1 0 10313.18 268.59 | 11 1 0 10313.18 271.41
1 2 0 181.23 112.18 | 1 2 0 181.23 67.82
2 2 0 1974.14 182.37 | 2 2 0 1974.14 177.63
3 2 0 28723.73 271.49 | 3 2 0 28723.73 268.51
4 2 0 21174.80 194.91 | 4 2 0 21174.80 165.09
5 2 0 21998.49 271.19 | 5 2 0 21998.49 268.81
6 2 0 10965.81 181.91 | 6 2 0 10965.81 178.09
7 2 0 4328.60 269.93 | 7 2 0 4328.60 270.07
8 2 0 9666.67 180.96 | 8 2 0 9666.67 179.04
9 2 0 580.10 141.09 | 9 2 0 580.10 38.91
10 2 0 9556.35 359.03 | 10 2 0 9556.35 0.97
11 2 0 18103.66 90.78 | 11 2 0 18103.66 89.22
1 3 0 2037.29 83.24 | 1 3 0 2037.29 96.76
2 3 0 11339.45 359.06 | 2 3 0 11339.45 0.94
3 3 0 16292.92 274.59 | 3 3 0 16292.92 265.41
4 3 0 13852.85 356.17 | 4 3 0 13852.85 3.83
5 3 0 4525.80 33.88 | 5 3 0 4525.80 146.12
6 3 0 1100.17 190.15 | 6 3 0 1100.17 169.85
7 3 0 3696.37 89.70 | 7 3 0 3696.37 90.30
8 3 0 27594.71 180.29 | 8 3 0 27594.71 179.71
9 3 0 23483.92 271.13 | 9 3 0 23483.92 268.87
10 3 0 14616.83 359.40 | 10 3 0 14616.83 0.60
11 3 0 11369.14 89.16 | 11 3 0 11369.14 90.84
2 4 0 15292.71 180.42 | 2 4 0 15292.71 179.58
3 4 0 7591.94 94.08 | 3 4 0 7591.94 85.92
4 4 0 23086.00 359.71 | 4 4 0 23086.00 0.29
5 4 0 9455.60 97.62 | 5 4 0 9455.60 82.38
6 4 0 5848.30 151.20 | 6 4 0 5848.30 208.80
7 4 0 6046.02 264.52 | 7 4 0 6046.02 275.48
8 4 0 14269.88 0.99 | 8 4 0 14269.88 359.01
9 4 0 12306.27 269.91 | 9 4 0 12306.27 270.09
10 4 0 13703.95 0.42 | 10 4 0 13703.95 359.58
11 4 0 13562.27 268.79 | 11 4 0 13562.27 271.21
2 5 0 32295.24 359.86 | 2 5 0 32295.24 0.14
3 5 0 26866.61 95.86 | 3 5 0 26866.61 84.14
4 5 0 11657.33 218.80 | 4 5 0 11657.33 141.20
5 5 0 16958.23 253.62 | 5 5 0 16958.23 286.38
6 5 0 5765.22 350.19 | 6 5 0 5765.22 9.81
7 5 0 10876.91 270.59 | 7 5 0 10876.91 269.41
8 5 0 5431.45 183.89 | 8 5 0 5431.45 176.11
9 5 0 18807.49 90.02 | 9 5 0 18807.49 89.98
10 5 0 8384.49 358.61 | 10 5 0 8384.49 1.39
11 5 0 16769.15 270.09 | 11 5 0 16769.15 269.91
2 6 0 2595.67 183.63 | 2 6 0 2595.67 176.37
3 6 0 17154.29 89.17 | 3 6 0 17154.29 90.83
4 6 0 4532.87 130.39 | 4 6 0 4532.87 229.61
5 6 0 12795.65 70.98 | 5 6 0 12795.65 109.02
6 6 0 16225.46 4.64 | 6 6 0 16225.46 355.36
7 6 0 4169.95 87.57 | 7 6 0 4169.95 92.43
8 6 0 14357.31 1.92 | 8 6 0 14357.31 358.08
9 6 0 2132.26 219.75 | 9 6 0 2132.26 320.25
10 6 0 10686.31 180.00 | 10 6 0 10686.31 180.00
11 6 0 13236.31 89.04 | 11 6 0 13236.31 90.96
2 7 0 12325.69 179.16 | 2 7 0 12325.69 180.84
3 7 0 13987.66 265.49 | 3 7 0 13987.66 274.51
4 7 0 19532.30 7.15 | 4 7 0 19532.30 352.85
5 7 0 357.63 152.88 | 5 7 0 357.63 27.12
6 7 0 11005.29 175.99 | 6 7 0 11005.29 184.01
7 7 0 10703.01 89.91 | 7 7 0 10703.01 90.09
8 7 0 2352.78 185.40 | 8 7 0 2352.78 174.60
9 7 0 16700.45 89.30 | 9 7 0 16700.45 90.70
10 7 0 13793.60 179.62 | 10 7 0 13793.60 180.38
2 8 0 11739.66 179.36 | 2 8 0 11739.66 180.64
3 8 0 19774.10 273.03 | 3 8 0 19774.10 266.97
4 8 0 10776.00 355.04 | 4 8 0 10776.00 4.96
5 8 0 22152.00 87.39 | 5 8 0 22152.00 92.61
6 8 0 13245.61 355.42 | 6 8 0 13245.61 4.58
7 8 0 6074.05 272.80 | 7 8 0 6074.05 267.20
8 8 0 2946.15 166.85 | 8 8 0 2946.15 193.15
9 8 0 3816.59 87.83 | 9 8 0 3816.59 92.17
10 8 0 12213.82 179.49 | 10 8 0 12213.82 180.51
3 9 0 12527.73 271.32 | 3 9 0 12527.73 268.68
4 9 0 12838.79 358.80 | 4 9 0 12838.79 1.20
5 9 0 6260.80 87.36 | 5 9 0 6260.80 92.64
6 9 0 10132.85 181.05 | 6 9 0 10132.85 178.95
7 9 0 22664.55 269.97 | 7 9 0 22664.55 270.03
8 9 0 4275.36 337.13 | 8 9 0 4275.36 22.87
9 9 0 8168.19 270.26 | 9 9 0 8168.19 269.74
10 9 0 10814.96 359.81 | 10 9 0 10814.96 0.19
3 10 0 11934.76 269.12 | 3 10 0 11934.76 270.88
4 10 0 4688.57 199.34 | 4 10 0 4688.57 160.66
5 10 0 17910.40 90.31 | 5 10 0 17910.40 89.69
6 10 0 13794.76 3.84 | 6 10 0 13794.76 356.16
7 10 0 8949.93 90.37 | 7 10 0 8949.93 89.63
8 10 0 11040.87 179.87 | 8 10 0 11040.87 180.13
9 10 0 16561.89 89.37 | 9 10 0 16561.89 90.63
10 10 0 7593.54 181.09 | 10 10 0 7593.54 178.91
3 11 0 3397.25 91.05 | 3 11 0 3397.25 88.95
4 11 0 15598.09 359.00 | 4 11 0 15598.09 1.00
5 11 0 7407.09 92.59 | 5 11 0 7407.09 87.41
6 11 0 5854.41 180.21 | 6 11 0 5854.41 179.79
7 11 0 4842.94 269.61 | 7 11 0 4842.94 270.39
8 11 0 33363.73 359.54 | 8 11 0 33363.73 0.46
9 11 0 7545.83 91.22 | 9 11 0 7545.83 88.78
3 12 0 6778.37 93.42 | 3 12 0 6778.37 86.58
4 12 0 13071.01 178.19 | 4 12 0 13071.01 181.81
5 12 0 2973.31 87.39 | 5 12 0 2973.31 92.61
6 12 0 4855.94 359.05 | 6 12 0 4855.94 0.95
7 12 0 4781.71 278.64 | 7 12 0 4781.71 261.36
8 12 0 3111.26 2.60 | 8 12 0 3111.26 357.40
9 12 0 13815.52 90.29 | 9 12 0 13815.52 89.71
4 13 0 7899.61 179.25 | 4 13 0 7899.61 180.75
5 13 0 8640.18 89.86 | 5 13 0 8640.18 90.14
6 13 0 13083.70 179.64 | 6 13 0 13083.70 180.36
7 13 0 18000.19 269.93 | 7 13 0 18000.19 270.07
8 13 0 5819.05 359.71 | 8 13 0 5819.05 0.29
4 14 0 22428.41 180.30 | 4 14 0 22428.41 179.70
5 14 0 5576.97 90.59 | 5 14 0 5576.97 89.41
6 14 0 11954.86 358.41 | 6 14 0 11954.86 1.59
7 14 0 10710.50 89.67 | 7 14 0 10710.50 90.33
8 14 0 2909.13 337.25 | 8 14 0 2909.13 22.75
4 15 0 16853.54 359.87 | 4 15 0 16853.54 0.13
5 15 0 7058.56 271.37 | 5 15 0 7058.56 268.63
6 15 0 11610.23 359.81 | 6 15 0 11610.23 0.19
7 15 0 10477.01 89.79 | 7 15 0 10477.01 90.21
4 16 0 16386.78 180.00 | 4 16 0 16386.78 180.00
5 16 0 3937.46 269.15 | 5 16 0 3937.46 270.85
6 16 0 4670.14 179.10 | 6 16 0 4670.14 180.90
4 17 0 2211.33 0.56 | 4 17 0 2211.33 359.44
5 17 0 13989.05 90.18 | 5 17 0 13989.05 89.82
6 17 0 8852.85 179.82 | 6 17 0 8852.85 180.18
5 18 0 6463.27 89.55 | 5 18 0 6463.27 90.45
1 0 1 316.17 108.64 | 1 0 1 316.17 71.36
2 0 1 1607.26 89.73 | 2 0 1 1607.26 90.27
3 0 1 34988.91 269.35 | 3 0 1 34988.91 270.65
4 0 1 32512.12 93.83 | 4 0 1 32512.12 86.17
5 0 1 24663.86 276.25 | 5 0 1 24663.86 263.75
6 0 1 14607.55 263.59 | 6 0 1 14607.55 276.41
7 0 1 5087.87 292.39 | 7 0 1 5087.87 247.61
8 0 1 16297.14 78.17 | 8 0 1 16297.14 101.83
9 0 1 5376.72 85.64 | 9 0 1 5376.72 94.36
10 0 1 34071.73 274.90 | 10 0 1 34071.73 265.10
11 0 1 18949.86 95.94 | 11 0 1 18949.86 84.06
1 1 1 4579.89 78.56 | 1 1 1 4579.89 78.56
2 1 1 11273.16 93.31 | 2 1 1 11273.16 93.31
3 1 1 55011.46 40.00 | 3 1 1 55011.46 40.00
4 1 1 20534.20 19.94 | 4 1 1 20534.20 19.94
5 1 1 14975.75 116.77 | 5 1 1 14975.75 116.77
6 1 1 4809.81 268.97 | 6 1 1 4809.81 268.97
7 1 1 7934.16 94.53 | 7 1 1 7934.16 94.53
8 1 1 14906.78 19.50 | 8 1 1 14906.78 19.50
9 1 1 9625.75 203.77 | 9 1 1 9625.75 203.77
10 1 1 16737.03 55.41 | 10 1 1 16737.03 55.41
begin:vcard
fn:Eleanor Dodson
n:Dodson;Eleanor
email;internet:[EMAIL PROTECTED]
tel;work:+44 (0) 1904 328259
tel;fax:+44 (0) 1904 328266
tel;home:+44 (0) 1904 424449
version:2.1
end:vcard
