Upload folder using huggingface_hub

.gitattributes

@@ -101,3 +101,87 @@ extracted/rat_consensus_final_true_lib.msp filter=lfs diff=lfs merge=lfs -text
 extracted/rat_qtof_consensus_final_true_lib.msp filter=lfs diff=lfs merge=lfs -text
 mgf/rat_consensus_final_true_lib.mgf filter=lfs diff=lfs merge=lfs -text
 mgf/rat_qtof_consensus_final_true_lib.mgf filter=lfs diff=lfs merge=lfs -text
+NIST/C.elegans/c_elegans_consensus_final_true_lib.mgf filter=lfs diff=lfs merge=lfs -text
+NIST/C.elegans/c_elegans_consensus_final_true_lib.msp filter=lfs diff=lfs merge=lfs -text
+NIST/Chicken/chicken_consensus_final_true_lib.msp filter=lfs diff=lfs merge=lfs -text
+NIST/Chinese_Hamster/chinese_hamster_hcd_selected.mgf filter=lfs diff=lfs merge=lfs -text
+NIST/Chinese_Hamster/chinese_hamster_hcd_selected.msp filter=lfs diff=lfs merge=lfs -text
+NIST/Drosophila/drosophila_consensus_final_true_lib.mgf filter=lfs diff=lfs merge=lfs -text
+NIST/Drosophila/drosophila_consensus_final_true_lib.msp filter=lfs diff=lfs merge=lfs -text
+NIST/E.coli/e_coli_consensus_final_true_lib.mgf filter=lfs diff=lfs merge=lfs -text
+NIST/E.coli/e_coli_consensus_final_true_lib.msp filter=lfs diff=lfs merge=lfs -text
+NIST/Human/extracted/cptac2_human_hcd_itraq_phospho_selected.msp filter=lfs diff=lfs merge=lfs -text
+NIST/Human/extracted/cptac2_human_hcd_itraq_selected_part1.msp filter=lfs diff=lfs merge=lfs -text
+NIST/Human/extracted/cptac2_human_hcd_itraq_selected_part2.msp filter=lfs diff=lfs merge=lfs -text
+NIST/Human/extracted/cptac3_tmt_selected_passed_best.msp filter=lfs diff=lfs merge=lfs -text
+NIST/Human/extracted/human_consensus_final_true_lib.msp filter=lfs diff=lfs merge=lfs -text
+NIST/Human/extracted/human_hair_selected_with_GVPs_passed.msp filter=lfs diff=lfs merge=lfs -text
+NIST/Human/extracted/human_hcd_labelfree_phospho_selected_passed.msp filter=lfs diff=lfs merge=lfs -text
+NIST/Human/extracted/human_hcd_semitryp.msp filter=lfs diff=lfs merge=lfs -text
+NIST/Human/extracted/human_hcd_tryp_best.msp filter=lfs diff=lfs merge=lfs -text
+NIST/Human/extracted/human_hcd_tryp_good.msp filter=lfs diff=lfs merge=lfs -text
+NIST/Human/extracted/human_synthetic_hcd_selected.msp filter=lfs diff=lfs merge=lfs -text
+NIST/Human/mgf/cptac2_human_hcd_itraq_phospho_selected.mgf filter=lfs diff=lfs merge=lfs -text
+NIST/Human/mgf/cptac2_human_hcd_itraq_selected_part1.mgf filter=lfs diff=lfs merge=lfs -text
+NIST/Human/mgf/cptac2_human_hcd_itraq_selected_part2.mgf filter=lfs diff=lfs merge=lfs -text
+NIST/Human/mgf/cptac3_tmt_selected_passed_best.mgf filter=lfs diff=lfs merge=lfs -text
+NIST/Human/mgf/human_consensus_final_true_lib.mgf filter=lfs diff=lfs merge=lfs -text
+NIST/Human/mgf/human_hair_selected_with_GVPs_passed.mgf filter=lfs diff=lfs merge=lfs -text
+NIST/Human/mgf/human_hcd_labelfree_phospho_selected_passed.mgf filter=lfs diff=lfs merge=lfs -text
+NIST/Human/mgf/human_hcd_semitryp.mgf filter=lfs diff=lfs merge=lfs -text
+NIST/Human/mgf/human_hcd_tryp_best.mgf filter=lfs diff=lfs merge=lfs -text
+NIST/Human/mgf/human_hcd_tryp_good.mgf filter=lfs diff=lfs merge=lfs -text
+NIST/Human/mgf/human_synthetic_hcd_selected.mgf filter=lfs diff=lfs merge=lfs -text
+NIST/Mouse/extracted/cptac2_mouse_hcd_itraq_phospho_selected.msp filter=lfs diff=lfs merge=lfs -text
+NIST/Mouse/extracted/cptac2_mouse_hcd_itraq_selected.msp filter=lfs diff=lfs merge=lfs -text
+NIST/Mouse/extracted/cptac2_mouse_hcd_selected.msp filter=lfs diff=lfs merge=lfs -text
+NIST/Mouse/extracted/mouse_consensus_final_true_lib.msp filter=lfs diff=lfs merge=lfs -text
+NIST/Mouse/mgf/cptac2_mouse_hcd_itraq_phospho_selected.mgf filter=lfs diff=lfs merge=lfs -text
+NIST/Mouse/mgf/cptac2_mouse_hcd_itraq_selected.mgf filter=lfs diff=lfs merge=lfs -text
+NIST/Mouse/mgf/cptac2_mouse_hcd_selected.mgf filter=lfs diff=lfs merge=lfs -text
+NIST/Mouse/mgf/mouse_consensus_final_true_lib.mgf filter=lfs diff=lfs merge=lfs -text
+NIST/Rat/extracted/rat_consensus_final_true_lib.msp filter=lfs diff=lfs merge=lfs -text
+NIST/Rat/extracted/rat_qtof_consensus_final_true_lib.msp filter=lfs diff=lfs merge=lfs -text
+NIST/Rat/mgf/rat_consensus_final_true_lib.mgf filter=lfs diff=lfs merge=lfs -text
+NIST/Rat/mgf/rat_qtof_consensus_final_true_lib.mgf filter=lfs diff=lfs merge=lfs -text
+NIST/Sigmaups1/sigmaups1_consensus_final_true_lib.msp filter=lfs diff=lfs merge=lfs -text
+NIST/Yeast/extracted/yeast_2012_04_17_qtof/ALNUMNAM.INU filter=lfs diff=lfs merge=lfs -text
+NIST/Yeast/extracted/yeast_2012_04_17_qtof/ALPHANAM.INU filter=lfs diff=lfs merge=lfs -text
+NIST/Yeast/extracted/yeast_2012_04_17_qtof/LOSS_AM0.DBU filter=lfs diff=lfs merge=lfs -text
+NIST/Yeast/extracted/yeast_2012_04_17_qtof/LOSS_AM0.INU filter=lfs diff=lfs merge=lfs -text
+NIST/Yeast/extracted/yeast_2012_04_17_qtof/LOSS_EM0.DBU filter=lfs diff=lfs merge=lfs -text
+NIST/Yeast/extracted/yeast_2012_04_17_qtof/LOSS_EM0.INU filter=lfs diff=lfs merge=lfs -text
+NIST/Yeast/extracted/yeast_2012_04_17_qtof/MAXMASS.DBU filter=lfs diff=lfs merge=lfs -text
+NIST/Yeast/extracted/yeast_2012_04_17_qtof/MAXMASS.INU filter=lfs diff=lfs merge=lfs -text
+NIST/Yeast/extracted/yeast_2012_04_17_qtof/MW.INU filter=lfs diff=lfs merge=lfs -text
+NIST/Yeast/extracted/yeast_2012_04_17_qtof/NAME.INU filter=lfs diff=lfs merge=lfs -text
+NIST/Yeast/extracted/yeast_2012_04_17_qtof/NAMESORT.DBU filter=lfs diff=lfs merge=lfs -text
+NIST/Yeast/extracted/yeast_2012_04_17_qtof/PEAK.DBU filter=lfs diff=lfs merge=lfs -text
+NIST/Yeast/extracted/yeast_2012_04_17_qtof/PEAK.INU filter=lfs diff=lfs merge=lfs -text
+NIST/Yeast/extracted/yeast_2012_04_17_qtof/PEAK_AM0.DBU filter=lfs diff=lfs merge=lfs -text
+NIST/Yeast/extracted/yeast_2012_04_17_qtof/PEAK_AM0.INU filter=lfs diff=lfs merge=lfs -text
+NIST/Yeast/extracted/yeast_2012_04_17_qtof/PEAK_AM2.DBU filter=lfs diff=lfs merge=lfs -text
+NIST/Yeast/extracted/yeast_2012_04_17_qtof/PEAK_AM2.INU filter=lfs diff=lfs merge=lfs -text
+NIST/Yeast/extracted/yeast_2012_04_17_qtof/PEAK_EM0.DBU filter=lfs diff=lfs merge=lfs -text
+NIST/Yeast/extracted/yeast_2012_04_17_qtof/PEAK_EM1.DBU filter=lfs diff=lfs merge=lfs -text
+NIST/Yeast/extracted/yeast_2012_04_17_qtof/PEAK_EM1.INU filter=lfs diff=lfs merge=lfs -text
+NIST/Yeast/extracted/yeast_2012_04_17_qtof/PEAK_EM2.DBU filter=lfs diff=lfs merge=lfs -text
+NIST/Yeast/extracted/yeast_2012_04_17_qtof/PEAK_PM0.DBU filter=lfs diff=lfs merge=lfs -text
+NIST/Yeast/extracted/yeast_2012_04_17_qtof/PEAK_PM0.INU filter=lfs diff=lfs merge=lfs -text
+NIST/Yeast/extracted/yeast_2012_04_17_qtof/USER.DBU filter=lfs diff=lfs merge=lfs -text
+NIST/Yeast/extracted/yeast_2012_04_17_qtof/USER.INU filter=lfs diff=lfs merge=lfs -text
+NIST/Yeast/extracted/yeast_2012_04_17_qtof/cpdhash.inu filter=lfs diff=lfs merge=lfs -text
+NIST/Yeast/extracted/yeast_2012_04_17_qtof/exactmw.inu filter=lfs diff=lfs merge=lfs -text
+NIST/Yeast/extracted/yeast_2012_04_17_qtof/inchikey.inu filter=lfs diff=lfs merge=lfs -text
+NIST/Yeast/extracted/yeast_2012_04_17_qtof/mzbin.dbu filter=lfs diff=lfs merge=lfs -text
+NIST/Yeast/extracted/yeast_2012_04_17_qtof/mzbin.inu filter=lfs diff=lfs merge=lfs -text
+NIST/Yeast/extracted/yeast_2012_04_17_qtof/mztxt.dbu filter=lfs diff=lfs merge=lfs -text
+NIST/Yeast/extracted/yeast_2012_04_17_qtof/mztxt.inu filter=lfs diff=lfs merge=lfs -text
+NIST/Yeast/extracted/yeast_2012_04_17_qtof/precmz.inu filter=lfs diff=lfs merge=lfs -text
+NIST/Yeast/extracted/yeast_2012_04_17_qtof/precmzb.inu filter=lfs diff=lfs merge=lfs -text
+NIST/Yeast/extracted/yeast_consensus_final_true_lib.msp filter=lfs diff=lfs merge=lfs -text
+NIST/Yeast/extracted/yeast_pombe_consensus_final_true_lib.msp filter=lfs diff=lfs merge=lfs -text
+NIST/Yeast/mgf/yeast_consensus_final_true_lib.mgf filter=lfs diff=lfs merge=lfs -text
+NIST/Yeast/mgf/yeast_pombe_consensus_final_true_lib.mgf filter=lfs diff=lfs merge=lfs -text
+NIST/Zebrafish/2015_01_09_zebrafish_it_consensus_final_true_lib.mgf filter=lfs diff=lfs merge=lfs -text
+NIST/Zebrafish/2015_01_09_zebrafish_it_consensus_final_true_lib.msp filter=lfs diff=lfs merge=lfs -text

NIST/BSA/2011_04_01_bsa_consensus_final_true_lib.tar.gz

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:2156f4d7848a698337f933d8600b47a88e1bae6e567c208aa2b62ddc50fbe6d0
+size 949605

NIST/BSA/msp_to_mgf.py

@@ -0,0 +1,130 @@
+# -*- coding: utf-8 -*-
+import os
+import re
+
+# =========================================================
+# 1) 读取路径与保存路径（请你按自己的电脑路径修改）
+# =========================================================
+# 示例（macOS）:
+MSP_PATH = "/Users/guanmumu/Desktop/Data/BSA/bsa_consensus_final_true_lib.msp"
+MGF_PATH = "/Users/guanmumu/Desktop/Data/BSA/bsa_consensus_final_true_lib.mgf"
+
+# 如果你想让脚本“放哪儿都能跑”，可以用脚本所在目录：
+# BASE_DIR = os.path.dirname(os.path.abspath(__file__))
+# MSP_PATH = os.path.join(BASE_DIR, "bsa_consensus_final_true_lib.msp")
+# MGF_PATH = os.path.join(BASE_DIR, "bsa_consensus_final_true_lib.pepmass_is_mw.mgf")
+
+# =========================================================
+# 2) MSP 字段解析函数
+# =========================================================
+def parse_sequence_from_name(name_val: str) -> str:
+    # Name: SEQUENCE/charge_...
+    return name_val.split("/")[0].strip()
+
+def parse_charge_from_name(name_val: str):
+    m = re.search(r"/(\d+)", name_val)
+    return int(m.group(1)) if m else None
+
+def parse_mz_exact_from_comment(line: str):
+    # Comment: ... Mz_exact=536.5844 ...
+    m = re.search(r"\bMz_exact=([0-9]*\.?[0-9]+)", line)
+    return float(m.group(1)) if m else None
+
+# =========================================================
+# 3) 主逻辑：流式读取 MSP，写 MGF
+# =========================================================
+def main():
+    spectra_count = 0
+    unique_peptides = set()
+
+    with open(MSP_PATH, "r", encoding="utf-8", errors="replace") as fin, \
+         open(MGF_PATH, "w", encoding="utf-8") as fout:
+
+        name_val = None
+        seq = None
+        charge = None
+        mw = None               # 你要求用作 PEPMASS
+        precursor_mz = None     # 仅用于辅助记录（Mz_exact）
+
+        for line in fin:
+            line = line.rstrip("\n")
+
+            if line.startswith("Name:"):
+                name_val = line.split("Name:", 1)[1].strip()
+                seq = parse_sequence_from_name(name_val)
+                charge = parse_charge_from_name(name_val)
+                unique_peptides.add(seq)
+
+            elif line.startswith("MW:"):
+                try:
+                    mw = float(line.split("MW:", 1)[1].strip())
+                except Exception:
+                    mw = None
+
+            elif line.startswith("Comment:"):
+                precursor_mz = parse_mz_exact_from_comment(line)
+
+            elif line.startswith("Num peaks:"):
+                # 进入峰列表块
+                num_peaks = int(line.split("Num peaks:", 1)[1].strip())
+
+                spectra_count += 1
+
+                # ===================== 写一个 MGF block =====================
+                fout.write("BEGIN IONS\n")
+
+                # TITLE：建议写得可追溯
+                if seq is not None and charge is not None:
+                    fout.write(f"TITLE={seq}/z{charge}\n")
+                elif seq is not None:
+                    fout.write(f"TITLE={seq}\n")
+                else:
+                    fout.write(f"TITLE=Spectrum_{spectra_count}\n")
+
+                # 你要求：PEPMASS = MW（不做换算）
+                # 注意：如果 mw 缺失，会跳过 PEPMASS 行
+                if mw is not None:
+                    fout.write(f"PEPMASS={mw:.6f}\n")
+
+                # 电荷
+                if charge is not None:
+                    fout.write(f"CHARGE={charge}+\n")
+
+                # 你要的 sequence 列：这里写在 MGF 自定义字段中
+                if seq is not None:
+                    fout.write(f"SEQ={seq}\n")
+
+                # 辅助字段：把 Comment 里 Mz_exact 也记录下来（不影响你要求）
+                if precursor_mz is not None:
+                    fout.write(f"PRECURSOR_MZ={precursor_mz:.6f}\n")
+
+                # 写峰：每行 "m/z intensity"
+                for _ in range(num_peaks):
+                    peak_line = next(fin).strip()
+                    if not peak_line:
+                        continue
+                    parts = peak_line.split()
+                    if len(parts) >= 2:
+                        mz = parts[0]
+                        inten = parts[1]
+                        fout.write(f"{mz} {inten}\n")
+
+                fout.write("END IONS\n\n")
+
+                # reset 当前谱状态
+                name_val = None
+                seq = None
+                charge = None
+                mw = None
+                precursor_mz = None
+
+    # =========================================================
+    # 4) 最终统计输出
+    # =========================================================
+    print(f"[DONE] MSP input : {MSP_PATH}")
+    print(f"[DONE] MGF output: {MGF_PATH}")
+    print(f"Spectra count      : {spectra_count}")
+    print(f"Unique peptides    : {len(unique_peptides)}")
+
+if __name__ == "__main__":
+    main()

NIST/C.elegans/2011_05_24_c_elegans_consensus_final_true_lib.tar.gz

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:8546aeb1bc5fa89bb42bee177e50b3b12c4b80fb718358fd9f03e283276d48d4
+size 103804121

NIST/C.elegans/c_elegans_consensus_final_true_lib.mgf

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:8eeb81423b4cbc24065750f364a626ce0869868d60fae1d0566f800910c18893
+size 115994585

NIST/C.elegans/c_elegans_consensus_final_true_lib.msp

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:c96c8c89b3d618ebc056315dc0d35f81a339982148655ec8e54d2be5ea16c310
+size 315893881

NIST/C.elegans/msp_to_mgf.py

@@ -0,0 +1,130 @@
+# -*- coding: utf-8 -*-
+import os
+import re
+
+# =========================================================
+# 1) 读取路径与保存路径（请你按自己的电脑路径修改）
+# =========================================================
+# 示例（macOS）:
+MSP_PATH = "/Users/guanmumu/Desktop/Data/C. elegans/c_elegans_consensus_final_true_lib.msp"
+MGF_PATH = "/Users/guanmumu/Desktop/Data/C. elegans/c_elegans_consensus_final_true_lib.mgf"
+
+# 如果你想让脚本“放哪儿都能跑”，可以用脚本所在目录：
+# BASE_DIR = os.path.dirname(os.path.abspath(__file__))
+# MSP_PATH = os.path.join(BASE_DIR, "bsa_consensus_final_true_lib.msp")
+# MGF_PATH = os.path.join(BASE_DIR, "bsa_consensus_final_true_lib.pepmass_is_mw.mgf")
+
+# =========================================================
+# 2) MSP 字段解析函数
+# =========================================================
+def parse_sequence_from_name(name_val: str) -> str:
+    # Name: SEQUENCE/charge_...
+    return name_val.split("/")[0].strip()
+
+def parse_charge_from_name(name_val: str):
+    m = re.search(r"/(\d+)", name_val)
+    return int(m.group(1)) if m else None
+
+def parse_mz_exact_from_comment(line: str):
+    # Comment: ... Mz_exact=536.5844 ...
+    m = re.search(r"\bMz_exact=([0-9]*\.?[0-9]+)", line)
+    return float(m.group(1)) if m else None
+
+# =========================================================
+# 3) 主逻辑：流式读取 MSP，写 MGF
+# =========================================================
+def main():
+    spectra_count = 0
+    unique_peptides = set()
+
+    with open(MSP_PATH, "r", encoding="utf-8", errors="replace") as fin, \
+         open(MGF_PATH, "w", encoding="utf-8") as fout:
+
+        name_val = None
+        seq = None
+        charge = None
+        mw = None               # 你要求用作 PEPMASS
+        precursor_mz = None     # 仅用于辅助记录（Mz_exact）
+
+        for line in fin:
+            line = line.rstrip("\n")
+
+            if line.startswith("Name:"):
+                name_val = line.split("Name:", 1)[1].strip()
+                seq = parse_sequence_from_name(name_val)
+                charge = parse_charge_from_name(name_val)
+                unique_peptides.add(seq)
+
+            elif line.startswith("MW:"):
+                try:
+                    mw = float(line.split("MW:", 1)[1].strip())
+                except Exception:
+                    mw = None
+
+            elif line.startswith("Comment:"):
+                precursor_mz = parse_mz_exact_from_comment(line)
+
+            elif line.startswith("Num peaks:"):
+                # 进入峰列表块
+                num_peaks = int(line.split("Num peaks:", 1)[1].strip())
+
+                spectra_count += 1
+
+                # ===================== 写一个 MGF block =====================
+                fout.write("BEGIN IONS\n")
+
+                # TITLE：建议写得可追溯
+                if seq is not None and charge is not None:
+                    fout.write(f"TITLE={seq}/z{charge}\n")
+                elif seq is not None:
+                    fout.write(f"TITLE={seq}\n")
+                else:
+                    fout.write(f"TITLE=Spectrum_{spectra_count}\n")
+
+                # 你要求：PEPMASS = MW（不做换算）
+                # 注意：如果 mw 缺失，会跳过 PEPMASS 行
+                if mw is not None:
+                    fout.write(f"PEPMASS={mw:.6f}\n")
+
+                # 电荷
+                if charge is not None:
+                    fout.write(f"CHARGE={charge}+\n")
+
+                # 你要的 sequence 列：这里写在 MGF 自定义字段中
+                if seq is not None:
+                    fout.write(f"SEQ={seq}\n")
+
+                # 辅助字段：把 Comment 里 Mz_exact 也记录下来（不影响你要求）
+                if precursor_mz is not None:
+                    fout.write(f"PRECURSOR_MZ={precursor_mz:.6f}\n")
+
+                # 写峰：每行 "m/z intensity"
+                for _ in range(num_peaks):
+                    peak_line = next(fin).strip()
+                    if not peak_line:
+                        continue
+                    parts = peak_line.split()
+                    if len(parts) >= 2:
+                        mz = parts[0]
+                        inten = parts[1]
+                        fout.write(f"{mz} {inten}\n")
+
+                fout.write("END IONS\n\n")
+
+                # reset 当前谱状态
+                name_val = None
+                seq = None
+                charge = None
+                mw = None
+                precursor_mz = None
+
+    # =========================================================
+    # 4) 最终统计输出
+    # =========================================================
+    print(f"[DONE] MSP input : {MSP_PATH}")
+    print(f"[DONE] MGF output: {MGF_PATH}")
+    print(f"Spectra count      : {spectra_count}")
+    print(f"Unique peptides    : {len(unique_peptides)}")
+
+if __name__ == "__main__":
+    main()

NIST/Chicken/2011_05_24_chicken_consensus_final_true_lib.tar.gz

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:7643ef0ed363c7d8bd6e0fd575c6ad55e12ea0e56f50cf7566ab13d338967d3b
+size 4283755

NIST/Chicken/chicken_consensus_final_true_lib.msp

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:2158b057951cbf9303b3a73c2ac24f537680a6645a6b00100695c7ed06ea5711
+size 13292012

NIST/Chicken/msp_to_mgf.py

@@ -0,0 +1,130 @@
+# -*- coding: utf-8 -*-
+import os
+import re
+
+# =========================================================
+# 1) 读取路径与保存路径（请你按自己的电脑路径修改）
+# =========================================================
+# 示例（macOS）:
+MSP_PATH = "/Users/guanmumu/Desktop/Data/Chicken/chicken_consensus_final_true_lib.msp"
+MGF_PATH = "/Users/guanmumu/Desktop/Data/Chicken/chicken_consensus_final_true_lib.mgf"
+
+# 如果你想让脚本“放哪儿都能跑”，可以用脚本所在目录：
+# BASE_DIR = os.path.dirname(os.path.abspath(__file__))
+# MSP_PATH = os.path.join(BASE_DIR, "bsa_consensus_final_true_lib.msp")
+# MGF_PATH = os.path.join(BASE_DIR, "bsa_consensus_final_true_lib.pepmass_is_mw.mgf")
+
+# =========================================================
+# 2) MSP 字段解析函数
+# =========================================================
+def parse_sequence_from_name(name_val: str) -> str:
+    # Name: SEQUENCE/charge_...
+    return name_val.split("/")[0].strip()
+
+def parse_charge_from_name(name_val: str):
+    m = re.search(r"/(\d+)", name_val)
+    return int(m.group(1)) if m else None
+
+def parse_mz_exact_from_comment(line: str):
+    # Comment: ... Mz_exact=536.5844 ...
+    m = re.search(r"\bMz_exact=([0-9]*\.?[0-9]+)", line)
+    return float(m.group(1)) if m else None
+
+# =========================================================
+# 3) 主逻辑：流式读取 MSP，写 MGF
+# =========================================================
+def main():
+    spectra_count = 0
+    unique_peptides = set()
+
+    with open(MSP_PATH, "r", encoding="utf-8", errors="replace") as fin, \
+         open(MGF_PATH, "w", encoding="utf-8") as fout:
+
+        name_val = None
+        seq = None
+        charge = None
+        mw = None               # 你要求用作 PEPMASS
+        precursor_mz = None     # 仅用于辅助记录（Mz_exact）
+
+        for line in fin:
+            line = line.rstrip("\n")
+
+            if line.startswith("Name:"):
+                name_val = line.split("Name:", 1)[1].strip()
+                seq = parse_sequence_from_name(name_val)
+                charge = parse_charge_from_name(name_val)
+                unique_peptides.add(seq)
+
+            elif line.startswith("MW:"):
+                try:
+                    mw = float(line.split("MW:", 1)[1].strip())
+                except Exception:
+                    mw = None
+
+            elif line.startswith("Comment:"):
+                precursor_mz = parse_mz_exact_from_comment(line)
+
+            elif line.startswith("Num peaks:"):
+                # 进入峰列表块
+                num_peaks = int(line.split("Num peaks:", 1)[1].strip())
+
+                spectra_count += 1
+
+                # ===================== 写一个 MGF block =====================
+                fout.write("BEGIN IONS\n")
+
+                # TITLE：建议写得可追溯
+                if seq is not None and charge is not None:
+                    fout.write(f"TITLE={seq}/z{charge}\n")
+                elif seq is not None:
+                    fout.write(f"TITLE={seq}\n")
+                else:
+                    fout.write(f"TITLE=Spectrum_{spectra_count}\n")
+
+                # 你要求：PEPMASS = MW（不做换算）
+                # 注意：如果 mw 缺失，会跳过 PEPMASS 行
+                if mw is not None:
+                    fout.write(f"PEPMASS={mw:.6f}\n")
+
+                # 电荷
+                if charge is not None:
+                    fout.write(f"CHARGE={charge}+\n")
+
+                # 你要的 sequence 列：这里写在 MGF 自定义字段中
+                if seq is not None:
+                    fout.write(f"SEQ={seq}\n")
+
+                # 辅助字段：把 Comment 里 Mz_exact 也记录下来（不影响你要求）
+                if precursor_mz is not None:
+                    fout.write(f"PRECURSOR_MZ={precursor_mz:.6f}\n")
+
+                # 写峰：每行 "m/z intensity"
+                for _ in range(num_peaks):
+                    peak_line = next(fin).strip()
+                    if not peak_line:
+                        continue
+                    parts = peak_line.split()
+                    if len(parts) >= 2:
+                        mz = parts[0]
+                        inten = parts[1]
+                        fout.write(f"{mz} {inten}\n")
+
+                fout.write("END IONS\n\n")
+
+                # reset 当前谱状态
+                name_val = None
+                seq = None
+                charge = None
+                mw = None
+                precursor_mz = None
+
+    # =========================================================
+    # 4) 最终统计输出
+    # =========================================================
+    print(f"[DONE] MSP input : {MSP_PATH}")
+    print(f"[DONE] MGF output: {MGF_PATH}")
+    print(f"Spectra count      : {spectra_count}")
+    print(f"Unique peptides    : {len(unique_peptides)}")
+
+if __name__ == "__main__":
+    main()

NIST/Chinese_Hamster/2018_02_23_chinese_hamster_hcd_selected.tar.gz

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:c3b641fc6150afb0c2f0648ccb747c51ce18ca8997bf5805bab38fe7c9f20f1d
+size 234256395

NIST/Chinese_Hamster/chinese_hamster_hcd_selected.mgf

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:7db8a480e8ff0a5e602970a5a28e408dc690bc082160091731e8b8ba46e800a9
+size 342825915

NIST/Chinese_Hamster/chinese_hamster_hcd_selected.msp

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:5f25a4b9c6d6cbebc09e714ae18b4aaa2fafcbdafb092d66a3ef7e037f3c0c36
+size 667312654

NIST/Chinese_Hamster/msp_to_mgf.py

@@ -0,0 +1,130 @@
+# -*- coding: utf-8 -*-
+import os
+import re
+
+# =========================================================
+# 1) 读取路径与保存路径（请你按自己的电脑路径修改）
+# =========================================================
+# 示例（macOS）:
+MSP_PATH = "/Users/guanmumu/Desktop/Data/Chinese Hamster/chinese_hamster_hcd_selected.msp"
+MGF_PATH = "/Users/guanmumu/Desktop/Data/Chinese Hamster/chinese_hamster_hcd_selected.mgf"
+
+# 如果你想让脚本“放哪儿都能跑”，可以用脚本所在目录：
+# BASE_DIR = os.path.dirname(os.path.abspath(__file__))
+# MSP_PATH = os.path.join(BASE_DIR, "bsa_consensus_final_true_lib.msp")
+# MGF_PATH = os.path.join(BASE_DIR, "bsa_consensus_final_true_lib.pepmass_is_mw.mgf")
+
+# =========================================================
+# 2) MSP 字段解析函数
+# =========================================================
+def parse_sequence_from_name(name_val: str) -> str:
+    # Name: SEQUENCE/charge_...
+    return name_val.split("/")[0].strip()
+
+def parse_charge_from_name(name_val: str):
+    m = re.search(r"/(\d+)", name_val)
+    return int(m.group(1)) if m else None
+
+def parse_mz_exact_from_comment(line: str):
+    # Comment: ... Mz_exact=536.5844 ...
+    m = re.search(r"\bMz_exact=([0-9]*\.?[0-9]+)", line)
+    return float(m.group(1)) if m else None
+
+# =========================================================
+# 3) 主逻辑：流式读取 MSP，写 MGF
+# =========================================================
+def main():
+    spectra_count = 0
+    unique_peptides = set()
+
+    with open(MSP_PATH, "r", encoding="utf-8", errors="replace") as fin, \
+         open(MGF_PATH, "w", encoding="utf-8") as fout:
+
+        name_val = None
+        seq = None
+        charge = None
+        mw = None               # 你要求用作 PEPMASS
+        precursor_mz = None     # 仅用于辅助记录（Mz_exact）
+
+        for line in fin:
+            line = line.rstrip("\n")
+
+            if line.startswith("Name:"):
+                name_val = line.split("Name:", 1)[1].strip()
+                seq = parse_sequence_from_name(name_val)
+                charge = parse_charge_from_name(name_val)
+                unique_peptides.add(seq)
+
+            elif line.startswith("MW:"):
+                try:
+                    mw = float(line.split("MW:", 1)[1].strip())
+                except Exception:
+                    mw = None
+
+            elif line.startswith("Comment:"):
+                precursor_mz = parse_mz_exact_from_comment(line)
+
+            elif line.startswith("Num peaks:"):
+                # 进入峰列表块
+                num_peaks = int(line.split("Num peaks:", 1)[1].strip())
+
+                spectra_count += 1
+
+                # ===================== 写一个 MGF block =====================
+                fout.write("BEGIN IONS\n")
+
+                # TITLE：建议写得可追溯
+                if seq is not None and charge is not None:
+                    fout.write(f"TITLE={seq}/z{charge}\n")
+                elif seq is not None:
+                    fout.write(f"TITLE={seq}\n")
+                else:
+                    fout.write(f"TITLE=Spectrum_{spectra_count}\n")
+
+                # 你要求：PEPMASS = MW（不做换算）
+                # 注意：如果 mw 缺失，会跳过 PEPMASS 行
+                if mw is not None:
+                    fout.write(f"PEPMASS={mw:.6f}\n")
+
+                # 电荷
+                if charge is not None:
+                    fout.write(f"CHARGE={charge}+\n")
+
+                # 你要的 sequence 列：这里写在 MGF 自定义字段中
+                if seq is not None:
+                    fout.write(f"SEQ={seq}\n")
+
+                # 辅助字段：把 Comment 里 Mz_exact 也记录下来（不影响你要求）
+                if precursor_mz is not None:
+                    fout.write(f"PRECURSOR_MZ={precursor_mz:.6f}\n")
+
+                # 写峰：每行 "m/z intensity"
+                for _ in range(num_peaks):
+                    peak_line = next(fin).strip()
+                    if not peak_line:
+                        continue
+                    parts = peak_line.split()
+                    if len(parts) >= 2:
+                        mz = parts[0]
+                        inten = parts[1]
+                        fout.write(f"{mz} {inten}\n")
+
+                fout.write("END IONS\n\n")
+
+                # reset 当前谱状态
+                name_val = None
+                seq = None
+                charge = None
+                mw = None
+                precursor_mz = None
+
+    # =========================================================
+    # 4) 最终统计输出
+    # =========================================================
+    print(f"[DONE] MSP input : {MSP_PATH}")
+    print(f"[DONE] MGF output: {MGF_PATH}")
+    print(f"Spectra count      : {spectra_count}")
+    print(f"Unique peptides    : {len(unique_peptides)}")
+
+if __name__ == "__main__":
+    main()

NIST/Drosophila/2012_04_11_drosophila_consensus_final_true_lib.tar.gz

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:19f2cd0f1421ca1330d4fc5a058b0b41e0a8531635b9d32989ec889bec3517f1
+size 116991450

NIST/Drosophila/drosophila_consensus_final_true_lib.mgf

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:b38c7b5661a208a9a2fffa9873e3b07ed31fd2c1ea146d7c21d37ca0e5a84a40
+size 125583207

NIST/Drosophila/drosophila_consensus_final_true_lib.msp

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:9ed0babfbd7977935a5c5cdeec1591f25053f33985baf2e12ac9647987123318
+size 358531744

NIST/Drosophila/msp_to_mgf.py

@@ -0,0 +1,130 @@
+# -*- coding: utf-8 -*-
+import os
+import re
+
+# =========================================================
+# 1) 读取路径与保存路径（请你按自己的电脑路径修改）
+# =========================================================
+# 示例（macOS）:
+MSP_PATH = "/Users/guanmumu/Desktop/Data/Drosophila/drosophila_consensus_final_true_lib.msp"
+MGF_PATH = "/Users/guanmumu/Desktop/Data/Drosophila/drosophila_consensus_final_true_lib.mgf"
+
+# 如果你想让脚本“放哪儿都能跑”，可以用脚本所在目录：
+# BASE_DIR = os.path.dirname(os.path.abspath(__file__))
+# MSP_PATH = os.path.join(BASE_DIR, "bsa_consensus_final_true_lib.msp")
+# MGF_PATH = os.path.join(BASE_DIR, "bsa_consensus_final_true_lib.pepmass_is_mw.mgf")
+
+# =========================================================
+# 2) MSP 字段解析函数
+# =========================================================
+def parse_sequence_from_name(name_val: str) -> str:
+    # Name: SEQUENCE/charge_...
+    return name_val.split("/")[0].strip()
+
+def parse_charge_from_name(name_val: str):
+    m = re.search(r"/(\d+)", name_val)
+    return int(m.group(1)) if m else None
+
+def parse_mz_exact_from_comment(line: str):
+    # Comment: ... Mz_exact=536.5844 ...
+    m = re.search(r"\bMz_exact=([0-9]*\.?[0-9]+)", line)
+    return float(m.group(1)) if m else None
+
+# =========================================================
+# 3) 主逻辑：流式读取 MSP，写 MGF
+# =========================================================
+def main():
+    spectra_count = 0
+    unique_peptides = set()
+
+    with open(MSP_PATH, "r", encoding="utf-8", errors="replace") as fin, \
+         open(MGF_PATH, "w", encoding="utf-8") as fout:
+
+        name_val = None
+        seq = None
+        charge = None
+        mw = None               # 你要求用作 PEPMASS
+        precursor_mz = None     # 仅用于辅助记录（Mz_exact）
+
+        for line in fin:
+            line = line.rstrip("\n")
+
+            if line.startswith("Name:"):
+                name_val = line.split("Name:", 1)[1].strip()
+                seq = parse_sequence_from_name(name_val)
+                charge = parse_charge_from_name(name_val)
+                unique_peptides.add(seq)
+
+            elif line.startswith("MW:"):
+                try:
+                    mw = float(line.split("MW:", 1)[1].strip())
+                except Exception:
+                    mw = None
+
+            elif line.startswith("Comment:"):
+                precursor_mz = parse_mz_exact_from_comment(line)
+
+            elif line.startswith("Num peaks:"):
+                # 进入峰列表块
+                num_peaks = int(line.split("Num peaks:", 1)[1].strip())
+
+                spectra_count += 1
+
+                # ===================== 写一个 MGF block =====================
+                fout.write("BEGIN IONS\n")
+
+                # TITLE：建议写得可追溯
+                if seq is not None and charge is not None:
+                    fout.write(f"TITLE={seq}/z{charge}\n")
+                elif seq is not None:
+                    fout.write(f"TITLE={seq}\n")
+                else:
+                    fout.write(f"TITLE=Spectrum_{spectra_count}\n")
+
+                # 你要求：PEPMASS = MW（不做换算）
+                # 注意：如果 mw 缺失，会跳过 PEPMASS 行
+                if mw is not None:
+                    fout.write(f"PEPMASS={mw:.6f}\n")
+
+                # 电荷
+                if charge is not None:
+                    fout.write(f"CHARGE={charge}+\n")
+
+                # 你要的 sequence 列：这里写在 MGF 自定义字段中
+                if seq is not None:
+                    fout.write(f"SEQ={seq}\n")
+
+                # 辅助字段：把 Comment 里 Mz_exact 也记录下来（不影响你要求）
+                if precursor_mz is not None:
+                    fout.write(f"PRECURSOR_MZ={precursor_mz:.6f}\n")
+
+                # 写峰：每行 "m/z intensity"
+                for _ in range(num_peaks):
+                    peak_line = next(fin).strip()
+                    if not peak_line:
+                        continue
+                    parts = peak_line.split()
+                    if len(parts) >= 2:
+                        mz = parts[0]
+                        inten = parts[1]
+                        fout.write(f"{mz} {inten}\n")
+
+                fout.write("END IONS\n\n")
+
+                # reset 当前谱状态
+                name_val = None
+                seq = None
+                charge = None
+                mw = None
+                precursor_mz = None
+
+    # =========================================================
+    # 4) 最终统计输出
+    # =========================================================
+    print(f"[DONE] MSP input : {MSP_PATH}")
+    print(f"[DONE] MGF output: {MGF_PATH}")
+    print(f"Spectra count      : {spectra_count}")
+    print(f"Unique peptides    : {len(unique_peptides)}")
+
+if __name__ == "__main__":
+    main()

NIST/E.coli/2013_05_08_e_coli_consensus_final_true_lib.tar.gz

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:de62c0203b72bf37126d2952bc80dd1fd408c6a4f0311973c1da022a7386a256
+size 87413877

NIST/E.coli/e_coli_consensus_final_true_lib.mgf

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:cc4c05e0972a2973dc1690ebcd9469be1a354ac095e6f15da02e9e3434f705a6
+size 91406955

NIST/E.coli/e_coli_consensus_final_true_lib.msp

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:13275e11e16916eee2b62248ad7c0232ddb5de421dcceb19bc02c2c772e0468b
+size 266444472

NIST/E.coli/msp_to_mgf.py

@@ -0,0 +1,130 @@
+# -*- coding: utf-8 -*-
+import os
+import re
+
+# =========================================================
+# 1) 读取路径与保存路径（请你按自己的电脑路径修改）
+# =========================================================
+# 示例（macOS）:
+MSP_PATH = "/Users/guanmumu/Desktop/Data/E. coli/e_coli_consensus_final_true_lib.msp"
+MGF_PATH = "/Users/guanmumu/Desktop/Data/E. coli/e_coli_consensus_final_true_lib.mgf"
+
+# 如果你想让脚本“放哪儿都能跑”，可以用脚本所在目录：
+# BASE_DIR = os.path.dirname(os.path.abspath(__file__))
+# MSP_PATH = os.path.join(BASE_DIR, "bsa_consensus_final_true_lib.msp")
+# MGF_PATH = os.path.join(BASE_DIR, "bsa_consensus_final_true_lib.pepmass_is_mw.mgf")
+
+# =========================================================
+# 2) MSP 字段解析函数
+# =========================================================
+def parse_sequence_from_name(name_val: str) -> str:
+    # Name: SEQUENCE/charge_...
+    return name_val.split("/")[0].strip()
+
+def parse_charge_from_name(name_val: str):
+    m = re.search(r"/(\d+)", name_val)
+    return int(m.group(1)) if m else None
+
+def parse_mz_exact_from_comment(line: str):
+    # Comment: ... Mz_exact=536.5844 ...
+    m = re.search(r"\bMz_exact=([0-9]*\.?[0-9]+)", line)
+    return float(m.group(1)) if m else None
+
+# =========================================================
+# 3) 主逻辑：流式读取 MSP，写 MGF
+# =========================================================
+def main():
+    spectra_count = 0
+    unique_peptides = set()
+
+    with open(MSP_PATH, "r", encoding="utf-8", errors="replace") as fin, \
+         open(MGF_PATH, "w", encoding="utf-8") as fout:
+
+        name_val = None
+        seq = None
+        charge = None
+        mw = None               # 你要求用作 PEPMASS
+        precursor_mz = None     # 仅用于辅助记录（Mz_exact）
+
+        for line in fin:
+            line = line.rstrip("\n")
+
+            if line.startswith("Name:"):
+                name_val = line.split("Name:", 1)[1].strip()
+                seq = parse_sequence_from_name(name_val)
+                charge = parse_charge_from_name(name_val)
+                unique_peptides.add(seq)
+
+            elif line.startswith("MW:"):
+                try:
+                    mw = float(line.split("MW:", 1)[1].strip())
+                except Exception:
+                    mw = None
+
+            elif line.startswith("Comment:"):
+                precursor_mz = parse_mz_exact_from_comment(line)
+
+            elif line.startswith("Num peaks:"):
+                # 进入峰列表块
+                num_peaks = int(line.split("Num peaks:", 1)[1].strip())
+
+                spectra_count += 1
+
+                # ===================== 写一个 MGF block =====================
+                fout.write("BEGIN IONS\n")
+
+                # TITLE：建议写得可追溯
+                if seq is not None and charge is not None:
+                    fout.write(f"TITLE={seq}/z{charge}\n")
+                elif seq is not None:
+                    fout.write(f"TITLE={seq}\n")
+                else:
+                    fout.write(f"TITLE=Spectrum_{spectra_count}\n")
+
+                # 你要求：PEPMASS = MW（不做换算）
+                # 注意：如果 mw 缺失，会跳过 PEPMASS 行
+                if mw is not None:
+                    fout.write(f"PEPMASS={mw:.6f}\n")
+
+                # 电荷
+                if charge is not None:
+                    fout.write(f"CHARGE={charge}+\n")
+
+                # 你要的 sequence 列：这里写在 MGF 自定义字段中
+                if seq is not None:
+                    fout.write(f"SEQ={seq}\n")
+
+                # 辅助字段：把 Comment 里 Mz_exact 也记录下来（不影响你要求）
+                if precursor_mz is not None:
+                    fout.write(f"PRECURSOR_MZ={precursor_mz:.6f}\n")
+
+                # 写峰：每行 "m/z intensity"
+                for _ in range(num_peaks):
+                    peak_line = next(fin).strip()
+                    if not peak_line:
+                        continue
+                    parts = peak_line.split()
+                    if len(parts) >= 2:
+                        mz = parts[0]
+                        inten = parts[1]
+                        fout.write(f"{mz} {inten}\n")
+
+                fout.write("END IONS\n\n")
+
+                # reset 当前谱状态
+                name_val = None
+                seq = None
+                charge = None
+                mw = None
+                precursor_mz = None
+
+    # =========================================================
+    # 4) 最终统计输出
+    # =========================================================
+    print(f"[DONE] MSP input : {MSP_PATH}")
+    print(f"[DONE] MGF output: {MGF_PATH}")
+    print(f"Spectra count      : {spectra_count}")
+    print(f"Unique peptides    : {len(unique_peptides)}")
+
+if __name__ == "__main__":
+    main()

NIST/Human/download_list.txt

@@ -0,0 +1,11 @@
+https://chemdata.nist.gov/download/peptide_library/libraries/human/ION_TRAP/2014_05_29/2014_05_29_human_consensus_final_true_lib.tar.gz
+https://chemdata.nist.gov/download/peptide_library/libraries/human/HCD/2020_05_19/human_hcd_tryp_best.msp.tar.gz
+https://chemdata.nist.gov/download/peptide_library/libraries/human/HCD/2020_05_19/human_hcd_tryp_good.msp.tar.gz
+https://chemdata.nist.gov/download/peptide_library/libraries/human/HCD/2020_05_19/human_hcd_semitryp.msp.tar.gz
+https://chemdata.nist.gov/download/peptide_library/libraries/cptaclib/2015/cptac2_human_hcd_itraq_selected_part1.msp.tar.gz
+https://chemdata.nist.gov/download/peptide_library/libraries/cptaclib/2015/cptac2_human_hcd_itraq_selected_part2.msp.tar.gz
+https://chemdata.nist.gov/download/peptide_library/libraries/cptaclib/2015/cptac2_human_hcd_itraq_phospho_selected.msp.tar.gz
+https://chemdata.nist.gov/download/peptide_library/libraries/human/HCD/2017_05_30/human_synthetic_hcd_selected.msp.tar.gz
+https://chemdata.nist.gov/download/peptide_library/libraries/human/HCD/2019_02_14/human_hcd_labelfree_phospho_selected_passed.msp.tar.gz
+https://chemdata.nist.gov/download/peptide_library/libraries/human/HCD/hair/human_hair_selected_with_GVPs_passed_msp.tar.gz
+https://chemdata.nist.gov/download/peptide_library/libraries/human/HCD/2022_03_16/cptac3_tmt_selected_passed_best.msp.tar.gz

NIST/Human/downloads/2014_05_29_human_consensus_final_true_lib.tar.gz

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:b2c16ffdfb154e4b09db554bb2e6aabab48ecb196b0fab39b61977c5076b366f
+size 573909561

NIST/Human/downloads/cptac2_human_hcd_itraq_phospho_selected.msp.tar.gz

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:233f92a089d0eb83e48150d9b3c32c4145939fd886d364ffb2067922b45d8f8f
+size 1162476607

NIST/Human/downloads/cptac2_human_hcd_itraq_selected_part1.msp.tar.gz

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:6bf4dec73d2b3f1eac4f1902b00b6edadefac0244de99adf660a2b4fc145b1f3
+size 1961961686

NIST/Human/downloads/cptac2_human_hcd_itraq_selected_part2.msp.tar.gz

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:14e0196680db5e2f2513094c4da86ac067928f5b8747aea20dc39d086e098438
+size 2090393526

NIST/Human/downloads/cptac3_tmt_selected_passed_best.msp.tar.gz

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:063ac05e057ef5b5745049d7ccba97d69b9d4de6806e96890e98f277b9d02bd3
+size 2717409713

NIST/Human/downloads/human_hair_selected_with_GVPs_passed_msp.tar.gz

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:5de06f70d0462b6b92510e30ba10028a8ebf0c7f613f21f77035cb5b7144b007
+size 19504122

NIST/Human/downloads/human_hcd_labelfree_phospho_selected_passed.msp.tar.gz

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:b1faa9bf7c77006c167a7a89d4d7435bea91adebe1528ffc0ab31ebd1bb61de5
+size 244368083

NIST/Human/downloads/human_hcd_semitryp.msp.tar.gz

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:43670383bfbb3669fb900aefce08838cecd7766783df440cfc4fd0d28cb89a0b
+size 627308208

NIST/Human/downloads/human_hcd_tryp_best.msp.tar.gz

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:1866af6296e9b696aed71d0dbf22b82dc15d02510459c236b2a37798a0c00ebf
+size 677259962

NIST/Human/downloads/human_hcd_tryp_good.msp.tar.gz

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:5b7ca7ccf69df16900df51f3b620f5cdb1bc155459d32dc82806c84ee6d6f3e5
+size 414274314

NIST/Human/downloads/human_synthetic_hcd_selected.msp.tar.gz

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:049385c4b539a268389f10a5565ea6627b88bde8476075b93b6498084e64da0c
+size 2282954701

NIST/Human/extracted/cptac2_human_hcd_itraq_phospho_selected.msp

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:f0a215409e67a71472d1a66723b13df4eee72fe4fc08b371a5002eb0caed0a95
+size 3436589381

NIST/Human/extracted/cptac2_human_hcd_itraq_selected_part1.msp

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:d53905c7e1f6feb87a3a813b370db9cebb29d18304fa2e9f4ed9888892b5c537
+size 5696742728