This dataset contains the predicted prices of the asset Emerge over the next 16 years. This data is calculated initially using a default 5 percent annual growth rate, and after page load, it features a sliding scale component where the user can then further adjust the growth rate to their own positive or negative projections. The maximum positive adjustable growth rate is 100 percent, and the minimum adjustable growth rate is -100 percent.

aAU: asymmetric unit of the crystal.bNumbers in parenthesis correspond to the outer resolution bin.cA measure of agreement among multiple measurements of the same reflections. Rmerge is calculated as follows: Ii(hkl) is the intensity of an individual measurement of the reflection with Miller indices hkl, and I(hkl) is the intensity from multiple observations:Rmerge = ∑hkl∑i|Ii(hkl)−I(hkl)|/∑hkl∑i|Ii(hkl)|.dR(work) = ∑hkl| Fobs−Fcalc |/∑hkl|Fobs|, where Fobs and Fcalc are the observed and calculated structure factor amplitudes, respectively. The free R-factor, R(free), is computed in the same manner as R(work), but using only a small set (5%) of randomly chosen reflections not used in the refinement of the model.eThe Ramachandran plot was calculated using PHENIX.

Rmerge = Σ|Ii−i>|/ΣIi where Ii is the intensity of a single reflection and i> is the mean intensity of that reflection.Rworking = Σ|Fo−Fc|/ΣFo Rfree is the R-factor calculated for the cross-validated test set of reflections.

X-ray diffraction data set recorded on beamline i03 at Diamond Light Source, as part of a training workshop. Data were collected from a cubic insulin crystal prepared following standard methods with an Eiger 2XE 16M detector at 250Hz.

Data Collection Parameters

    Wavelength
    1.2399Å


    Oscillation angle
    0.1°


    Nominal resolution (inscribed circle)
    1.5


    Total rotation
    1440°


    Nominal flux
    5e11 ph/s


    Beam size
    80x20µm

Merging stats from xia2 / DIALS automated online processing

For mx30951v8/xins162/SAD Overall Low High High resolution limit 1.32 3.58 1.32 Low resolution limit 54.95 55.00 1.34 Completeness 98.7 100.0 83.3 Multiplicity 132.9 152.8 33.7 I/sigma 41.7 200.6 0.4 Rmerge(I) 0.072 0.044 4.027 Rmerge(I+/-) 0.071 0.043 3.977 Rmeas(I) 0.072 0.044 4.088 Rmeas(I+/-) 0.071 0.044 4.094 Rpim(I) 0.006 0.004 0.675 Rpim(I+/-) 0.008 0.005 0.940 CC half 1.000 1.000 0.360 Wilson B factor 19.890 Anomalous completeness 98.4 100.0 79.3 Anomalous multiplicity 69.1 84.3 17.7 Anomalous correlation 0.760 0.646 -0.050 Anomalous slope 0.613 dF/F 0.026 dI/s(dI) 1.013 Total observations 2426172 151841 26018 Total unique 18257 994 772 Assuming spacegroup: I 2 3 Unit cell (with estimated std devs): 77.71580(7) 77.71580(7) 77.71580(7) 90.0 90.0 90.0

Data are made available for any purpose including methods developers trying to optimize their software for higher multiplicity data sets.

This dataset tracks annual diversity score from 2019 to 2023 for The Emerge School For Autism vs. Louisiana and East Baton Rouge Parish School District

(1)Numbers in parenthesis represent highest resolution shell of data.(2)Rmerge = (|ΣIhkl−|/(ΣIhkl), where the average intensity is taken over all symmetry equivalent measurements and Ihkl is the measured intensity for any given reflection.(3)I/σI is the mean reflection intensity divided by the estimated error.(4)Rcryst = ∥Fo|−|Fc∥/|Fo|, where Fo and Fc are the observed and calculated structure factor amplitudes, respectively.(5)Rfree is equivalent to Rcryst but calculated for 5% of the reflections chosen at random and omitted from the refinement process.

*Values in parentheses refer to the outermost resolution shell.(a)Rmeas as described in [71].(b)Rsym as described in [72].(c)Calculated using Rmerge, Version 2 [73].(d)Calculated as the ratio of average I over average error.(e)Determined using Molprobity [74].

aThe parameter values for the range 1.85–1.76 Å and 3.06–2.90 Å are given in parentheses for native and heavy metal derivative data, respectively.bRmerge = Σhkl Σi|Ii−|/_Σhkl ΣIi, where Ii is the intensity of the ith observation, is the mean intensity of the reflection, and the summations extend over all unique reflections (hkl) and all equivalents (i), respectively.cRpim = Σhkl [n/(n−1)]1/2 Σi|Ii(hkl)−|/Σhkl Σi Ii(hkl), where n is the multiplicity, other variables as defined for Rmerge[46].dMSAN is the Mid slope of Anomalous normal probability.eR-factor = Σhkl|Fo−Fc|/Σhkl Fo, where Fo and Fc represent the observed and calculated structure factors, respectively. The R-Factor is calculated using 95% of the data included in refinement and R-free the 5% excluded.

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Data set recorded from Thermolysin crystal record in situ with Eiger 4M detector, to demonstrate file format used for this instrument at Diamond Light Source. Processing results using xia2 / DIALS:

For AUTOMATIC/DEFAULT/SAD Overall Low High High resolution limit 1.97 5.35 1.97 Low resolution limit 46.86 46.87 2.01 Completeness 59.8 73.2 6.0 Multiplicity 5.8 8.0 1.1 I/sigma 13.6 24.4 1.8 Rmerge(I) 0.072 0.050 0.308 Rmerge(I+/-) 0.067 0.048 0.000 Rmeas(I) 0.078 0.054 0.436 Rmeas(I+/-) 0.076 0.054 0.000 Rpim(I) 0.028 0.018 0.308 Rpim(I+/-) 0.035 0.023 0.000 CC half 0.997 0.998 0.450 Wilson B factor 13.401 Anomalous completeness 51.3 78.8 0.8 Anomalous multiplicity 3.3 4.8 1.0 Anomalous correlation 0.039 -0.006 0.000 Anomalous slope 0.987 dF/F 0.103 dI/s(dI) 1.086 Total observations 85069 8229 82 Total unique 14747 1031 73 Assuming spacegroup: P 6 2 2 Other likely alternatives are: P 61 2 2 P 65 2 2 P 62 2 2 P 64 2 2 P 63 2 2 Unit cell (with estimated std devs): 93.7184(3) 93.7184(3) 130.864(2) 90.0 90.0 120.0

LAI-TEQUMSA/EMERGE dataset hosted on Hugging Face and contributed by the HF Datasets community

This dataset tracks annual free lunch eligibility from 2019 to 2023 for The Emerge School For Autism vs. Louisiana and East Baton Rouge Parish School District

Data recorded as part of routine commissioning at Diamond Light Source beamline i03 from a thaumatin standard protein sample. Automated processing with xia2 gives:

For AUTOMATIC/DEFAULT/NATIVE Overall Low High High resolution limit 1.63 4.42 1.63 Low resolution limit 54.20 54.23 1.66 Completeness 91.4 98.1 52.3 Multiplicity 3.2 3.4 1.6 I/sigma 12.4 49.2 0.3 Rmerge(I) 0.070 0.031 1.075 Rmerge(I+/-) 0.063 0.027 0.922 Rmeas(I) 0.081 0.036 1.362 Rmeas(I+/-) 0.080 0.034 1.247 Rpim(I) 0.040 0.018 0.817 Rpim(I+/-) 0.048 0.021 0.833 CC half 0.998 0.998 0.392 Wilson B factor 21.110 Anomalous completeness 69.7 91.3 17.6 Anomalous multiplicity 1.9 2.1 1.2 Anomalous correlation -0.025 0.345 -0.308 Anomalous slope 0.915 dF/F 0.086 dI/s(dI) 0.903 Total observations 95615 6183 1370 Total unique 30248 1818 850 Assuming spacegroup: P 41 21 2 Unit cell (with estimated std devs): 58.1046(2) 58.1046(2) 150.4201(7) 90.0 90.0 90.0

Data consist of 500 x 0.1° rotation images recorded on an Eiger 2XE 16M detector with a 2ms exposure time (i.e. a total of 1s of exposure time for the full data set). Data are deliberately small to facilitate quick processing while being relatively complete thanks to the high symmetry of the sample, and are properly recorded i.e. finely sliced.

*Rmerge = ΣhΣi |Ii(h)−

†Rmerge = ΣhΣi|〈Ih〉−Ih,i|/ΣhΣiIh,I where Ih,I is the i-th observed intensity of a measured reflection of Miller index h and |〈Ih〉 is the average intensity of this unique reflection.aNumbers in parentheses refer to the highest resolution shell. bFor the CRTI SeMet statistics (peak, inflection and remote), the Friedel pairs were not merged in all calculations.

Directing crystal growth into complex morphologies is challenging, as crystals tend to adopt thermodynamically stable morphologies. Yet, many organisms form crystals with intricate morphologies, as exemplified by coccoliths, microscopic calcite crystal-arrays produced by unicellular algae. The complex morphologies of the coccolith crystals were hypothesized to materialize from numerous crystallographic facets, stabilized by fine-tuned interactions between organic molecules and the growing crystals. Using state-of-the-art electron tomography, we examined multiple stages of coccolith development in 3D. We found that the crystals are expressing only one set of symmetry-related crystallographic facets, which grow differentially to yield highly anisotropic shapes. Morphological chirality arises from positioning the crystals along specific edges of these same facets. Our findings show that manipulations of growth kinetics can yield complex crystalline morphologies.

The EMERGE Sample Metadata Sheet is a data compilation published by the EMERGE Biology Integration Institute, providing basic (meta)data (including field sample info and biogeochemistry data) for samples with linked metagenomes (metaGs). It was generated by parsing and cleaning up the "Depth-Info" and "Biogeochemistry" query output from the EMERGE Database (EMERGE-DB; https://emerge-db.asc.ohio-state.edu/). Additional information, including column descriptions, is provided in the accompanying PDF (see list of included files below).

FILES:

coring_geochem_sequenced_samples_1.1.0.csv - The Sample Metadata Sheet.

variable_defs_availability_sequenced_samples_public_1.1.0.pdf - A README / FAQ file with additional information and variable descriptions for the Sample Metadata Sheet.

variables_coring_geochem_sequenced_samples_public_1.1.0.csv - CSV version of the variable descriptions table from the README / FAQ.

FUNDING: This research is a contribution of the EMERGE Biology Integration Institute, funded by the National Science Foundation, Biology Integration Institutes Program, Award # 2022070. We thank the Swedish Polar Research Secretariat and SITES for the support of the work done at the Abisko Scientific Research Station. SITES is supported by the Swedish Research Council's grant 4.3-2021-00164. This study was also funded by the Genomic Science Program of the United States Department of Energy Office of Biological and Environmental Research, grant #s DE-SC0004632, DE-SC0010580, and DE-SC0016440.

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