Re: [ccp4bb] How the IMEAN is calculated in scalepack2mtz

2017-03-13 Thread Karthikeyan Subramanian
Thank you all for the information and F estimator write-up. With regards Karthik On 13-03-2017 03:56 AM, Phil Evans wrote: Sorry Ian, I was attributing this to Kevin apologies Phil On 12 Mar 2017, at 21:56, Ian Tickle wrote: Eleanor, Phil is right about the bias of the weighted mean,

Re: [ccp4bb] How the IMEAN is calculated in scalepack2mtz

2017-03-13 Thread Ian Tickle
Hi Eleanor I reran my simulation including your method. Let's just look at the two extreme cases in my original table: sd(F+) = 10, sd(F-) = 1 (5th row) and sd(F+) = 1000, sd(F-) = 100 (last row: the case where my method performs worst but still better than the others!). I used the same 'true' v

Re: [ccp4bb] How the IMEAN is calculated in scalepack2mtz

2017-03-13 Thread Ian Tickle
Eleanor I notice that you are calculating a weighted mean using 1/sd(I) as the weight whereas in least squares one would of course normally use variance-weighting, i.e. 1/sd(I)^2. I assume this is intentional and is a way to reduce the bias effect of weighting, so that the resulting bias of the m

Re: [ccp4bb] How the IMEAN is calculated in scalepack2mtz

2017-03-12 Thread Phil Evans
Sorry Ian, I was attributing this to Kevin apologies Phil > On 12 Mar 2017, at 21:56, Ian Tickle wrote: > > > Eleanor, > > Phil is right about the bias of the weighted mean, here's how I do it using a > minimum mean-squared error estimator which seems to give more accurate > results than e

Re: [ccp4bb] How the IMEAN is calculated in scalepack2mtz

2017-03-12 Thread Eleanor Dodson
Thanks Ian. e On 12 March 2017 at 21:56, Ian Tickle wrote: > > Eleanor, > > Phil is right about the bias of the weighted mean, here's how I do it > using a minimum mean-squared error estimator which seems to give more > accurate results than either the unweighted or the weighted mean: > > http:/

Re: [ccp4bb] How the IMEAN is calculated in scalepack2mtz

2017-03-12 Thread Ian Tickle
Eleanor, Phil is right about the bias of the weighted mean, here's how I do it using a minimum mean-squared error estimator which seems to give more accurate results than either the unweighted or the weighted mean: http://staraniso.globalphasing.org/Optimal-F-estimator.pdf This is actually about

Re: [ccp4bb] How the IMEAN is calculated in scalepack2mtz

2017-03-12 Thread Phil Evans
It should be the unweighted mean to avoid bias towards I+ or I- (or Kevin Cowtan had a more complicated way) Phil > On 12 Mar 2017, at 17:58, Eleanor Dodson wrote: > > You read: > h k l IPLUS SIGIPLUS INEG SIGINEG > Then program calculates this: > >SIGIMEAN = SIGIPLUS*S

Re: [ccp4bb] How the IMEAN is calculated in scalepack2mtz

2017-03-12 Thread Eleanor Dodson
You read: h k l IPLUS SIGIPLUS INEG SIGINEG Then program calculates this: SIGIMEAN = SIGIPLUS*SIGINEG/(SIGIPLUS+SIGINEG) IMEAN = (IPLUS/SIGIPLUS + INEG/SIGINEG)*SIGIMEAN ie: IMEAN = ( IPLUS*SIGINEG + INEG * SIGIPLUS ) / /(SIGIPLUS+SIGINEG) Is that the right thing

[ccp4bb] How the IMEAN is calculated in scalepack2mtz

2017-03-11 Thread Karthikeyan Subramanian
Dear CCP4bb, How IMEAN and SIGIMEAN is calculated in scalepack2mtz if the input is with anomalous intensity (obtained from HKL2000). Any guide/reference is highly appreciated. Thanks in advance, With regards Karthikeyan S. Principal Scientist IMTECH, Chandigarh