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Merge pull request #104 from uparma/mx_qc/new_params
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updated the params and style to a general mx_qc_style_1
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tristan-ranff authored Sep 14, 2022
2 parents 1b81d90 + 3917b59 commit f0033c2
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Showing 2 changed files with 10 additions and 6 deletions.
12 changes: 8 additions & 4 deletions jsons/parameters.json
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"key_translations": {
"annotate_metabolites_style_1": "delta_abs_t",
"isotopologue_envelope_matching_style_1": "delta_abs_t",
"mx_qc_style_1": "delta_abs_t",
"recalibrate_mz_global_style_1": "delta_abs_t",
"ursgal_style_1": "absolute_mass_tolerance"
},
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"description": "range in which variable accuracy calculations (either ppm or based on actual resolving power) are being used.",
"key_translations": {
"annotate_metabolites_style_1": "mz_boundaries",
"mx_qc_style_1": "mz_boundaries",
"ursgal_style_1": "accuracy_range"
},
"name": "accuracy_range",
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"description": "Type of accuracy to be used for metabolite annotation. 'dynamic' - dynamic accuracy function based on the local instrument resolving power. 'ppm' - relative mass tolerance for annotation. 'absolute' - absolute mass tolerance for annotation.",
"key_translations": {
"annotate_metabolites_style_1": "annotation_accuracy",
"mx_qc_style_1": "annotation_accuracy",
"ursgal_style_1": "annotation_accuracy"
},
"name": "annotation_accuracy",
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"mascot_style_1": "INSTRUMENT",
"moda_style_1": "Instrument",
"msgfplus_style_1": "-inst",
"mx_gsk_style_1": "INSTR",
"mx_qc_style_1": "INSTR",
"novor_style_1": "massAnalyzer",
"ursgal_style_1": "instrument"
},
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"2"
]
],
"mx_gsk_style_1": [
"mx_qc_style_1": [
[
"q_exactive",
"Thermo"
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"key_translations": {
"annotate_metabolites_style_1": "polarity",
"calculate_ion_charge_state_style_1": "polarity",
"mx_gsk_stage2_qc_style_1": "polarity",
"mx_qc_style_1": "polarity",
"mzml2mgf_style_1": "ion_mode",
"recalibrate_mz_global_style_1": "polarity",
"recalibrate_mz_style_1": "polarity",
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"description": "MS1 are centroided data: True or False",
"key_translations": {
"kojak_style_1": "kojak_MS1_centroid",
"mx_gsk_style_1": "ms1_is_centroided",
"ursgal_style_1": "ms1_is_centroided"
},
"name": "ms1_is_centroided",
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"key_translations": {
"annotate_metabolites_style_1": "resolution",
"kojak_style_1": "kojak_MS1_resolution",
"mx_qc_style_1": "resolution",
"ursgal_style_1": "ms1_resolution"
},
"name": "ms1_resolution",
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"description": "PPM mass tolerance for post-acquisition mass axis re-calibration",
"key_translations": {
"annotate_metabolites_style_1": "delta_ppm_t",
"mx_qc_style_1": "delta_ppm_t",
"recalibrate_mz_global_style_1": "delta_ppm_t",
"ursgal_style_1": "ppm_mass_tolerance"
},
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4 changes: 2 additions & 2 deletions jsons/styles.json
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]
},
{
"name": "mx_gsk_stage2_qc_style_1",
"name": "mx_qc_style_1",
"reference": "Ursgal2 Team",
"style": "mx_gsk_stage2_qc_style_1",
"style": "mx_qc_style_1",
"versions": [
"1.0.0"
]
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