diff --git a/Pipfile b/Pipfile
index 2979a132..d77f22aa 100644
--- a/Pipfile
+++ b/Pipfile
@@ -14,8 +14,6 @@ decorator = "==4.3.0"
 defusedxml = "==0.5.0"
 entrypoints = "==0.2.3"
 "enum34" = "==1.1.6"
-"functools32" = "==3.2.3.post2"
-futures = "==3.2.0"
 ipaddress = "==1.0.22"
 ipykernel = "==4.10.0"
 ipython = "==5.8.0"
diff --git a/Pipfile.lock b/Pipfile.lock
new file mode 100644
index 00000000..3547ea3a
--- /dev/null
+++ b/Pipfile.lock
@@ -0,0 +1,648 @@
+{
+    "_meta": {
+        "hash": {
+            "sha256": "259c4915328e20da6c66fd861a0db8dd3a40e9325c7281f23445beec0f4847a2"
+        },
+        "pipfile-spec": 6,
+        "requires": {
+            "python_version": "3.7"
+        },
+        "sources": [
+            {
+                "name": "pypi",
+                "url": "https://pypi.org/simple",
+                "verify_ssl": true
+            }
+        ]
+    },
+    "default": {
+        "appnope": {
+            "hashes": [
+                "sha256:5b26757dc6f79a3b7dc9fab95359328d5747fcb2409d331ea66d0272b90ab2a0",
+                "sha256:8b995ffe925347a2138d7ac0fe77155e4311a0ea6d6da4f5128fe4b3cbe5ed71"
+            ],
+            "index": "pypi",
+            "version": "==0.1.0"
+        },
+        "backports-abc": {
+            "hashes": [
+                "sha256:033be54514a03e255df75c5aee8f9e672f663f93abb723444caec8fe43437bde",
+                "sha256:52089f97fe7a9aa0d3277b220c1d730a85aefd64e1b2664696fe35317c5470a7"
+            ],
+            "index": "pypi",
+            "version": "==0.5"
+        },
+        "backports.functools-lru-cache": {
+            "hashes": [
+                "sha256:9d98697f088eb1b0fa451391f91afb5e3ebde16bbdb272819fd091151fda4f1a",
+                "sha256:f0b0e4eba956de51238e17573b7087e852dfe9854afd2e9c873f73fc0ca0a6dd"
+            ],
+            "index": "pypi",
+            "version": "==1.5"
+        },
+        "backports.shutil-get-terminal-size": {
+            "hashes": [
+                "sha256:0975ba55054c15e346944b38956a4c9cbee9009391e41b86c68990effb8c1f64",
+                "sha256:713e7a8228ae80341c70586d1cc0a8caa5207346927e23d09dcbcaf18eadec80"
+            ],
+            "index": "pypi",
+            "version": "==1.0.0"
+        },
+        "biopython": {
+            "hashes": [
+                "sha256:16a99e2462ee5acb6962f3a1d344336db58d7b87acf9d5023beb3efe6ebb47a8",
+                "sha256:2fbfe0f2d7b731b638c41466987cf00e36e08502b3db2b2d72beb9cbb79097e3",
+                "sha256:3a199d469465c4f3c4c238f688d07b9bce4f504be73dead6cdf5d36a47728fcd",
+                "sha256:3d3deb59c3f5d04d41aec443db4e89dbbdd0bb7749078f91e797935849c8db48",
+                "sha256:3e8c85d4a3295be598a9e9616adeed8a4f81bd0452326aaea7bf81cca468f7c1",
+                "sha256:539a475c263b68cd1ae3624648090bf1a5d853ec967d450e4cb991e63f72cb05",
+                "sha256:57a449709df7a47980360ecbd2f195effc56e9b0253fa0e74fb00b10b44778e0",
+                "sha256:5882ba8fb87cbbe36d9e5d87c9b8f3139d503fe7da1023b472760a8122e579e6",
+                "sha256:5e0b830ff270b16abf1f050a8bf4732c9f2da29d27fdd2be9aeab76b6d087919",
+                "sha256:6d27eb0fda18f2f70661bcd498f2aa0148ce56953aac094c35d8a12fb8261482",
+                "sha256:6d8e56e46cccc38fb8ac026e70f700528f0d5e6f264d03f9c348fb81dd7e65b6",
+                "sha256:71762c193ffc9a1b936dfaa2d456fb172856f0952090483ee4a84635a1aa6fe3",
+                "sha256:874a3c30bf7287e003e3668b55bd73a243edb85f4249826cff54b6fe3740483a",
+                "sha256:99faabef8c563bf5a9ed80ea677a5fd9edab5c06405a08fe44fb0f5bd4f6af38",
+                "sha256:ab6b492443adb90c66267b3d24d602ae69a93c68f4b9f135ba01cb06d36ce5a2",
+                "sha256:abc14a111ed89332c902d239f516cc9ab84ab4458b577c61208dc4c20b74dc83",
+                "sha256:ad2c72c289561d51f6f7a9ae977e9cd54cd48b575b946421f82ede1ac24198cb",
+                "sha256:b426a2d858414bed0c25fca155fdf27485347ce6f69805db65b8b36ec00a0f41",
+                "sha256:b76241a55a1ba832c2768733fb113eef1fdfa1d738aa1f84fcdd4ba0b6432394",
+                "sha256:d3c7ba7b0ffb3dd5132093d4fb21782daccc0e41358e5887676c455e1ae841c9",
+                "sha256:db3517d654c2ca81c57b2e4e5340650b55055eb3985e5732c5ec668cf70143f1",
+                "sha256:defd163110d698ea534e470995c68c519bd56e4e23043ae9dd8b646f2a803e5b",
+                "sha256:f1b4abd90d0c84ab2c5dab704da1d397cf75ee41f72619a1802479c3768ac347"
+            ],
+            "index": "pypi",
+            "version": "==1.72"
+        },
+        "bleach": {
+            "hashes": [
+                "sha256:48d39675b80a75f6d1c3bdbffec791cf0bbbab665cf01e20da701c77de278718",
+                "sha256:73d26f018af5d5adcdabf5c1c974add4361a9c76af215fe32fdec8a6fc5fb9b9"
+            ],
+            "index": "pypi",
+            "version": "==3.0.2"
+        },
+        "configparser": {
+            "hashes": [
+                "sha256:5308b47021bc2340965c371f0f058cc6971a04502638d4244225c49d80db273a"
+            ],
+            "index": "pypi",
+            "version": "==3.5.0"
+        },
+        "cycler": {
+            "hashes": [
+                "sha256:1d8a5ae1ff6c5cf9b93e8811e581232ad8920aeec647c37316ceac982b08cb2d",
+                "sha256:cd7b2d1018258d7247a71425e9f26463dfb444d411c39569972f4ce586b0c9d8"
+            ],
+            "index": "pypi",
+            "version": "==0.10.0"
+        },
+        "decorator": {
+            "hashes": [
+                "sha256:2c51dff8ef3c447388fe5e4453d24a2bf128d3a4c32af3fabef1f01c6851ab82",
+                "sha256:c39efa13fbdeb4506c476c9b3babf6a718da943dab7811c206005a4a956c080c"
+            ],
+            "index": "pypi",
+            "version": "==4.3.0"
+        },
+        "defusedxml": {
+            "hashes": [
+                "sha256:24d7f2f94f7f3cb6061acb215685e5125fbcdc40a857eff9de22518820b0a4f4",
+                "sha256:702a91ade2968a82beb0db1e0766a6a273f33d4616a6ce8cde475d8e09853b20"
+            ],
+            "index": "pypi",
+            "version": "==0.5.0"
+        },
+        "entrypoints": {
+            "hashes": [
+                "sha256:10ad569bb245e7e2ba425285b9fa3e8178a0dc92fc53b1e1c553805e15a8825b",
+                "sha256:d2d587dde06f99545fb13a383d2cd336a8ff1f359c5839ce3a64c917d10c029f"
+            ],
+            "index": "pypi",
+            "version": "==0.2.3"
+        },
+        "enum34": {
+            "hashes": [
+                "sha256:2d81cbbe0e73112bdfe6ef8576f2238f2ba27dd0d55752a776c41d38b7da2850",
+                "sha256:644837f692e5f550741432dd3f223bbb9852018674981b1664e5dc339387588a",
+                "sha256:6bd0f6ad48ec2aa117d3d141940d484deccda84d4fcd884f5c3d93c23ecd8c79",
+                "sha256:8ad8c4783bf61ded74527bffb48ed9b54166685e4230386a9ed9b1279e2df5b1"
+            ],
+            "index": "pypi",
+            "version": "==1.1.6"
+        },
+        "ipaddress": {
+            "hashes": [
+                "sha256:64b28eec5e78e7510698f6d4da08800a5c575caa4a286c93d651c5d3ff7b6794",
+                "sha256:b146c751ea45cad6188dd6cf2d9b757f6f4f8d6ffb96a023e6f2e26eea02a72c"
+            ],
+            "index": "pypi",
+            "version": "==1.0.22"
+        },
+        "ipykernel": {
+            "hashes": [
+                "sha256:56d82987472f4b14ab0214e4aef55def006671885d285cd8821f2600861215a6",
+                "sha256:59b0855082d021f533cff477e1bb619e663b6aab11309a05bf88eaec9f53faed",
+                "sha256:699103c8e64886e3ec7053f2a6aa83bb90426063526f63a818732ff385202bad"
+            ],
+            "index": "pypi",
+            "version": "==4.10.0"
+        },
+        "ipython": {
+            "hashes": [
+                "sha256:0371b7e4bd74954a35086eac949beeac5b1c9f5ce231e2e77df2286a293765e3",
+                "sha256:37101b8cbe072fe17bff100bc03d096404e4a9a0357097aeb5b61677c042cab1",
+                "sha256:4bac649857611baaaf76bc82c173aa542f7486446c335fe1a6c05d0d491c8906"
+            ],
+            "index": "pypi",
+            "version": "==5.8.0"
+        },
+        "ipython-genutils": {
+            "hashes": [
+                "sha256:72dd37233799e619666c9f639a9da83c34013a73e8bbc79a7a6348d93c61fab8",
+                "sha256:eb2e116e75ecef9d4d228fdc66af54269afa26ab4463042e33785b887c628ba8"
+            ],
+            "index": "pypi",
+            "version": "==0.2.0"
+        },
+        "ipywidgets": {
+            "hashes": [
+                "sha256:0f2b5cde9f272cb49d52f3f0889fdd1a7ae1e74f37b48dac35a83152780d2b7b",
+                "sha256:a3e224f430163f767047ab9a042fc55adbcab0c24bbe6cf9f306c4f89fdf0ba3"
+            ],
+            "index": "pypi",
+            "version": "==7.4.2"
+        },
+        "jinja2": {
+            "hashes": [
+                "sha256:74c935a1b8bb9a3947c50a54766a969d4846290e1e788ea44c1392163723c3bd",
+                "sha256:f84be1bb0040caca4cea721fcbbbbd61f9be9464ca236387158b0feea01914a4"
+            ],
+            "index": "pypi",
+            "version": "==2.10"
+        },
+        "jsonschema": {
+            "hashes": [
+                "sha256:000e68abd33c972a5248544925a0cae7d1125f9bf6c58280d37546b946769a08",
+                "sha256:6ff5f3180870836cae40f06fa10419f557208175f13ad7bc26caa77beb1f6e02"
+            ],
+            "index": "pypi",
+            "version": "==2.6.0"
+        },
+        "jupyter": {
+            "hashes": [
+                "sha256:3e1f86076bbb7c8c207829390305a2b1fe836d471ed54be66a3b8c41e7f46cc7",
+                "sha256:5b290f93b98ffbc21c0c7e749f054b3267782166d72fa5e3ed1ed4eaf34a2b78",
+                "sha256:d9dc4b3318f310e34c82951ea5d6683f67bed7def4b259fafbfe4f1beb1d8e5f"
+            ],
+            "index": "pypi",
+            "version": "==1.0.0"
+        },
+        "jupyter-client": {
+            "hashes": [
+                "sha256:27befcf0446b01e29853014d6a902dd101ad7d7f94e2252b1adca17c3466b761",
+                "sha256:59e6d791e22a8002ad0e80b78c6fd6deecab4f9e1b1aa1a22f4213de271b29ea"
+            ],
+            "index": "pypi",
+            "version": "==5.2.3"
+        },
+        "jupyter-console": {
+            "hashes": [
+                "sha256:3f928b817fc82cda95e431eb4c2b5eb21be5c483c2b43f424761a966bb808094",
+                "sha256:545dedd3aaaa355148093c5609f0229aeb121b4852995c2accfa64fe3e0e55cd"
+            ],
+            "index": "pypi",
+            "version": "==5.2.0"
+        },
+        "jupyter-core": {
+            "hashes": [
+                "sha256:927d713ffa616ea11972534411544589976b2493fc7e09ad946e010aa7eb9970",
+                "sha256:ba70754aa680300306c699790128f6fbd8c306ee5927976cbe48adacf240c0b7"
+            ],
+            "index": "pypi",
+            "version": "==4.4.0"
+        },
+        "kiwisolver": {
+            "hashes": [
+                "sha256:0ee4ed8b3ae8f5f712b0aa9ebd2858b5b232f1b9a96b0943dceb34df2a223bc3",
+                "sha256:0f7f532f3c94e99545a29f4c3f05637f4d2713e7fd91b4dd8abfc18340b86cd5",
+                "sha256:1a078f5dd7e99317098f0e0d490257fd0349d79363e8c923d5bb76428f318421",
+                "sha256:1aa0b55a0eb1bd3fa82e704f44fb8f16e26702af1a073cc5030eea399e617b56",
+                "sha256:2874060b91e131ceeff00574b7c2140749c9355817a4ed498e82a4ffa308ecbc",
+                "sha256:379d97783ba8d2934d52221c833407f20ca287b36d949b4bba6c75274bcf6363",
+                "sha256:3b791ddf2aefc56382aadc26ea5b352e86a2921e4e85c31c1f770f527eb06ce4",
+                "sha256:4329008a167fac233e398e8a600d1b91539dc33c5a3eadee84c0d4b04d4494fa",
+                "sha256:45813e0873bbb679334a161b28cb9606d9665e70561fd6caa8863e279b5e464b",
+                "sha256:53a5b27e6b5717bdc0125338a822605084054c80f382051fb945d2c0e6899a20",
+                "sha256:574f24b9805cb1c72d02b9f7749aa0cc0b81aa82571be5201aa1453190390ae5",
+                "sha256:66f82819ff47fa67a11540da96966fb9245504b7f496034f534b81cacf333861",
+                "sha256:79e5fe3ccd5144ae80777e12973027bd2f4f5e3ae8eb286cabe787bed9780138",
+                "sha256:83410258eb886f3456714eea4d4304db3a1fc8624623fc3f38a487ab36c0f653",
+                "sha256:8b6a7b596ce1d2a6d93c3562f1178ebd3b7bb445b3b0dd33b09f9255e312a965",
+                "sha256:9576cb63897fbfa69df60f994082c3f4b8e6adb49cccb60efb2a80a208e6f996",
+                "sha256:95a25d9f3449046ecbe9065be8f8380c03c56081bc5d41fe0fb964aaa30b2195",
+                "sha256:a424f048bebc4476620e77f3e4d1f282920cef9bc376ba16d0b8fe97eec87cde",
+                "sha256:aaec1cfd94f4f3e9a25e144d5b0ed1eb8a9596ec36d7318a504d813412563a85",
+                "sha256:acb673eecbae089ea3be3dcf75bfe45fc8d4dcdc951e27d8691887963cf421c7",
+                "sha256:b15bc8d2c2848a4a7c04f76c9b3dc3561e95d4dabc6b4f24bfabe5fd81a0b14f",
+                "sha256:b1c240d565e977d80c0083404c01e4d59c5772c977fae2c483f100567f50847b",
+                "sha256:c595693de998461bcd49b8d20568c8870b3209b8ea323b2a7b0ea86d85864694",
+                "sha256:ce3be5d520b4d2c3e5eeb4cd2ef62b9b9ab8ac6b6fedbaa0e39cdb6f50644278",
+                "sha256:e0f910f84b35c36a3513b96d816e6442ae138862257ae18a0019d2fc67b041dc",
+                "sha256:ea36e19ac0a483eea239320aef0bd40702404ff8c7e42179a2d9d36c5afcb55c",
+                "sha256:efabbcd4f406b532206b8801058c8bab9e79645b9880329253ae3322b7b02cd5",
+                "sha256:f923406e6b32c86309261b8195e24e18b6a8801df0cfc7814ac44017bfcb3939"
+            ],
+            "index": "pypi",
+            "version": "==1.0.1"
+        },
+        "markupsafe": {
+            "hashes": [
+                "sha256:a6be69091dac236ea9c6bc7d012beab42010fa914c459791d627dad4910eb665"
+            ],
+            "index": "pypi",
+            "version": "==1.0"
+        },
+        "matplotlib": {
+            "hashes": [
+                "sha256:0ba8e3ec1b0feddc6b068fe70dc38dcf2917e301ad8d2b3f848c14ad463a4157",
+                "sha256:10a48e33e64dbd95f0776ba162f379c5cc55301c2d155506e79ce0c26b52f2ce",
+                "sha256:1376535fe731adbba55ab9e48896de226b7e89dbb55390c5fbd8f7161b7ae3be",
+                "sha256:16f0f8ba22df1e2c9f06c87088de45742322fde282a93b5c744c0f969cf7932e",
+                "sha256:1c6c999f2212858021329537f8e0f98f3f29086ec3683511dd1ecec84409f51d",
+                "sha256:2316dc177fc7b3d8848b49365498de0c385b4c9bba511edddd24c34fbe3d37a4",
+                "sha256:3398bfb533482bf21974cecf28224dd23784ad4e4848be582903f7a2436ec12e",
+                "sha256:3477cb1e1061b34210acc43d20050be8444478ff50b8adfac5fe2b45fc97df01",
+                "sha256:3cc06333b8264428d02231804e2e726b902e9161dc16f573183dee6cb7ef621f",
+                "sha256:4259ea7cb2c238355ee13275eddd261d869cefbdeb18a65f35459589d6d17def",
+                "sha256:4addcf93234b6122f530f90f485fd3d00d158911fbc1ed24db3fa66cd49fe565",
+                "sha256:50c0e24bcbce9c54346f4a2f4e97b0ed111f0413ac3fe9954061ae1c8aa7021f",
+                "sha256:62ed7597d9e54db6e133420d779c642503c25eba390e1178d85dfb2ba0d05948",
+                "sha256:69f6d51e41a17f6a5f70c56bb10b8ded9f299609204495a7fa2782a3a755ffc5",
+                "sha256:6d232e49b74e3d2db22c63c25a9a0166d965e87e2b057f795487f1f244b61d9d",
+                "sha256:7355bf757ecacd5f0ac9dd9523c8e1a1103faadf8d33c22664178e17533f8ce5",
+                "sha256:886b1045c5105631f10c1cbc999f910e44d33af3e9c7efd68c2123efc06ab636",
+                "sha256:9e1f353edd7fc7e5e9101abd5bc0201946f77a1b59e0da49095086c03db856ed",
+                "sha256:b3a343dfcbe296dbe0f26c731beee72a792ff948407e6979524298ae7bc3234e",
+                "sha256:d93675af09ca497a25f4f8d62f3313cf0f21e45427a87487049fe84898b99909",
+                "sha256:e2409ef9d37804dfb566f39c962e6ed70f281ff516b8131b3e6b4e6442711ff1",
+                "sha256:f8b653b0f89938ba72e92ab080c2f3aa24c1b72e2f61add22880cd1b9a6e3cdd"
+            ],
+            "index": "pypi",
+            "version": "==2.2.3"
+        },
+        "mistune": {
+            "hashes": [
+                "sha256:59a3429db53c50b5c6bcc8a07f8848cb00d7dc8bdb431a4ab41920d201d4756e",
+                "sha256:88a1051873018da288eee8538d476dffe1262495144b33ecb586c4ab266bb8d4"
+            ],
+            "index": "pypi",
+            "version": "==0.8.4"
+        },
+        "nbconvert": {
+            "hashes": [
+                "sha256:08d21cf4203fabafd0d09bbd63f06131b411db8ebeede34b0fd4be4548351779",
+                "sha256:a8a2749f972592aa9250db975304af6b7337f32337e523a2c995cc9e12c07807"
+            ],
+            "index": "pypi",
+            "version": "==5.4.0"
+        },
+        "nbformat": {
+            "hashes": [
+                "sha256:b9a0dbdbd45bb034f4f8893cafd6f652ea08c8c1674ba83f2dc55d3955743b0b",
+                "sha256:f7494ef0df60766b7cabe0a3651556345a963b74dbc16bc7c18479041170d402"
+            ],
+            "index": "pypi",
+            "version": "==4.4.0"
+        },
+        "notebook": {
+            "hashes": [
+                "sha256:b85e4de3d54cf4f14fe1d0515a980ccb49ddd4cdd21250cc0d4fb6374d50b1a7",
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+            "version": "==5.7.0"
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+        "numpy": {
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+                "sha256:8d2cfb0aef7ec8759736cce26946efa084cdf49797712333539ef7d135e0295e",
+                "sha256:981224224bbf44d95278eb37996162e8beb6f144d2719b144e86dfe2fce6c510",
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+                "sha256:9ad36dbfdbb0cba90a08e7343fadf86f43cf6d87450e8d2b5d71d7c7202907e4",
+                "sha256:a251570bb3cb04f1627f23c234ad09af0e54fc8194e026cf46178f2e5748d647",
+                "sha256:b5ff7dae352fd9e1edddad1348698e9fea14064460a7e39121ef9526745802e6",
+                "sha256:c898f9cca806102fcacb6309899743aa39efb2ad2a302f4c319f54db9f05cd84",
+                "sha256:cf4b970042ce148ad8dce4369c02a4078b382dadf20067ce2629c239d76460d1",
+                "sha256:d1569013e8cc8f37e9769d19effdd85e404c976cd0ca28a94e3ddc026c216ae8",
+                "sha256:dca261e85fe0d34b2c242ecb31c9ab693509af2cf955d9caf01ee3ef3669abd0",
+                "sha256:ec8bf53ef7c92c99340972519adbe122e82c81d5b87cbd955c74ba8a8cd2a4ad",
+                "sha256:f2e55726a9ee2e8129d6ce6abb466304868051bcc7a09d652b3b07cd86e801a2",
+                "sha256:f4dee74f2626c783a3804df9191e9008946a104d5a284e52427a53ff576423cb",
+                "sha256:f592fd7fe1f20b5041928cce1330937eca62f9058cb41e69c2c2d83cffc0d1e3",
+                "sha256:ffab5b80bba8c86251291b8ce2e6c99a61446459d4c6637f5d5cc8c9ce37c972"
+            ],
+            "index": "pypi",
+            "version": "==1.15.2"
+        },
+        "pandocfilters": {
+            "hashes": [
+                "sha256:b3dd70e169bb5449e6bc6ff96aea89c5eea8c5f6ab5e207fc2f521a2cf4a0da9"
+            ],
+            "index": "pypi",
+            "version": "==1.4.2"
+        },
+        "pathlib2": {
+            "hashes": [
+                "sha256:8eb170f8d0d61825e09a95b38be068299ddeda82f35e96c3301a8a5e7604cb83",
+                "sha256:d1aa2a11ba7b8f7b21ab852b1fb5afb277e1bb99d5dfc663380b5015c0d80c5a"
+            ],
+            "index": "pypi",
+            "version": "==2.3.2"
+        },
+        "pbr": {
+            "hashes": [
+                "sha256:1b8be50d938c9bb75d0eaf7eda111eec1bf6dc88a62a6412e33bf077457e0f45",
+                "sha256:b486975c0cafb6beeb50ca0e17ba047647f229087bd74e37f4a7e2cac17d2caa"
+            ],
+            "index": "pypi",
+            "version": "==4.2.0"
+        },
+        "pexpect": {
+            "hashes": [
+                "sha256:2a8e88259839571d1251d278476f3eec5db26deb73a70be5ed5dc5435e418aba",
+                "sha256:3fbd41d4caf27fa4a377bfd16fef87271099463e6fa73e92a52f92dfee5d425b"
+            ],
+            "index": "pypi",
+            "version": "==4.6.0"
+        },
+        "pickleshare": {
+            "hashes": [
+                "sha256:87683d47965c1da65cdacaf31c8441d12b8044cdec9aca500cd78fc2c683afca",
+                "sha256:9649af414d74d4df115d5d718f82acb59c9d418196b7b4290ed47a12ce62df56"
+            ],
+            "index": "pypi",
+            "version": "==0.7.5"
+        },
+        "prometheus-client": {
+            "hashes": [
+                "sha256:046cb4fffe75e55ff0e6dfd18e2ea16e54d86cc330f369bebcc683475c8b68a9"
+            ],
+            "index": "pypi",
+            "version": "==0.4.2"
+        },
+        "prompt-toolkit": {
+            "hashes": [
+                "sha256:1df952620eccb399c53ebb359cc7d9a8d3a9538cb34c5a1344bdbeb29fbcc381",
+                "sha256:3f473ae040ddaa52b52f97f6b4a493cfa9f5920c255a12dc56a7d34397a398a4",
+                "sha256:858588f1983ca497f1cf4ffde01d978a3ea02b01c8a26a8bbc5cd2e66d816917"
+            ],
+            "index": "pypi",
+            "version": "==1.0.15"
+        },
+        "ptyprocess": {
+            "hashes": [
+                "sha256:923f299cc5ad920c68f2bc0bc98b75b9f838b93b599941a6b63ddbc2476394c0",
+                "sha256:d7cc528d76e76342423ca640335bd3633420dc1366f258cb31d05e865ef5ca1f"
+            ],
+            "index": "pypi",
+            "version": "==0.6.0"
+        },
+        "pygments": {
+            "hashes": [
+                "sha256:78f3f434bcc5d6ee09020f92ba487f95ba50f1e3ef83ae96b9d5ffa1bab25c5d",
+                "sha256:dbae1046def0efb574852fab9e90209b23f556367b5a320c0bcb871c77c3e8cc"
+            ],
+            "index": "pypi",
+            "version": "==2.2.0"
+        },
+        "pyparsing": {
+            "hashes": [
+                "sha256:bc6c7146b91af3f567cf6daeaec360bc07d45ffec4cf5353f4d7a208ce7ca30a",
+                "sha256:d29593d8ebe7b57d6967b62494f8c72b03ac0262b1eed63826c6f788b3606401"
+            ],
+            "index": "pypi",
+            "version": "==2.2.2"
+        },
+        "python-dateutil": {
+            "hashes": [
+                "sha256:1adb80e7a782c12e52ef9a8182bebeb73f1d7e24e374397af06fb4956c8dc5c0",
+                "sha256:e27001de32f627c22380a688bcc43ce83504a7bc5da472209b4c70f02829f0b8"
+            ],
+            "index": "pypi",
+            "version": "==2.7.3"
+        },
+        "pytz": {
+            "hashes": [
+                "sha256:a061aa0a9e06881eb8b3b2b43f05b9439d6583c206d0a6c340ff72a7b6669053",
+                "sha256:ffb9ef1de172603304d9d2819af6f5ece76f2e85ec10692a524dd876e72bf277"
+            ],
+            "index": "pypi",
+            "version": "==2018.5"
+        },
+        "pyzmq": {
+            "hashes": [
+                "sha256:25a0715c8f69cf72f67cfe5a68a3f3ed391c67c063d2257bec0fe7fc2c7f08f8",
+                "sha256:2bab63759632c6b9e0d5bf19cc63c3b01df267d660e0abcf230cf0afaa966349",
+                "sha256:30ab49d99b24bf0908ebe1cdfa421720bfab6f93174e4883075b7ff38cc555ba",
+                "sha256:32c7ca9fc547a91e3c26fc6080b6982e46e79819e706eb414dd78f635a65d946",
+                "sha256:41219ae72b3cc86d97557fe5b1ef5d1adc1057292ec597b50050874a970a39cf",
+                "sha256:4b8c48a9a13cea8f1f16622f9bd46127108af14cd26150461e3eab71e0de3e46",
+                "sha256:55724997b4a929c0d01b43c95051318e26ddbae23565018e138ae2dc60187e59",
+                "sha256:65f0a4afae59d4fc0aad54a917ab599162613a761b760ba167d66cc646ac3786",
+                "sha256:6f88591a8b246f5c285ee6ce5c1bf4f6bd8464b7f090b1333a446b6240a68d40",
+                "sha256:75022a4c60dcd8765bb9ca32f6de75a0ec83b0d96e0309dc479f4c7b21f26cb7",
+                "sha256:76ea493bfab18dcb090d825f3662b5612e2def73dffc196d51a5194b0294a81d",
+                "sha256:7b60c045b80709e4e3c085bab9b691e71761b44c2b42dbb047b8b498e7bc16b3",
+                "sha256:8e6af2f736734aef8ed6f278f9f552ec7f37b1a6b98e59b887484a840757f67d",
+                "sha256:9ac2298e486524331e26390eac14e4627effd3f8e001d4266ed9d8f1d2d31cce",
+                "sha256:9ba650f493a9bc1f24feca1d90fce0e5dd41088a252ac9840131dfbdbf3815ca",
+                "sha256:a02a4a385e394e46012dc83d2e8fd6523f039bb52997c1c34a2e0dd49ed839c1",
+                "sha256:a3ceee84114d9f5711fa0f4db9c652af0e4636c89eabc9b7f03a3882569dd1ed",
+                "sha256:a72b82ac1910f2cf61a49139f4974f994984475f771b0faa730839607eeedddf",
+                "sha256:ab136ac51027e7c484c53138a0fab4a8a51e80d05162eb7b1585583bcfdbad27",
+                "sha256:c095b224300bcac61e6c445e27f9046981b1ac20d891b2f1714da89d34c637c8",
+                "sha256:c5cc52d16c06dc2521340d69adda78a8e1031705924e103c0eb8fc8af861d810",
+                "sha256:d612e9833a89e8177f8c1dc68d7b4ff98d3186cd331acd616b01bbdab67d3a7b",
+                "sha256:e828376a23c66c6fe90dcea24b4b72cd774f555a6ee94081670872918df87a19",
+                "sha256:e9767c7ab2eb552796440168d5c6e23a99ecaade08dda16266d43ad461730192",
+                "sha256:ebf8b800d42d217e4710d1582b0c8bff20cdcb4faad7c7213e52644034300924"
+            ],
+            "index": "pypi",
+            "version": "==17.1.2"
+        },
+        "qtconsole": {
+            "hashes": [
+                "sha256:f0b74277db5174d7513e9a84138e10e94d1cf767dc1706c247507e79e2c18288",
+                "sha256:faa529167b22412ea51ea44f20728a602415734d2229721d1194cea47cb730fa"
+            ],
+            "index": "pypi",
+            "version": "==4.4.2"
+        },
+        "scandir": {
+            "hashes": [
+                "sha256:04b8adb105f2ed313a7c2ef0f1cf7aff4871aa7a1883fa4d8c44b5551ab052d6",
+                "sha256:1444134990356c81d12f30e4b311379acfbbcd03e0bab591de2696a3b126d58e",
+                "sha256:1b5c314e39f596875e5a95dd81af03730b338c277c54a454226978d5ba95dbb6",
+                "sha256:346619f72eb0ddc4cf355ceffd225fa52506c92a2ff05318cfabd02a144e7c4e",
+                "sha256:44975e209c4827fc18a3486f257154d34ec6eaec0f90fef0cca1caa482db7064",
+                "sha256:61859fd7e40b8c71e609c202db5b0c1dbec0d5c7f1449dec2245575bdc866792",
+                "sha256:a5e232a0bf188362fa00123cc0bb842d363a292de7126126df5527b6a369586a",
+                "sha256:c14701409f311e7a9b7ec8e337f0815baf7ac95776cc78b419a1e6d49889a383",
+                "sha256:c7708f29d843fc2764310732e41f0ce27feadde453261859ec0fca7865dfc41b",
+                "sha256:c9009c527929f6e25604aec39b0a43c3f831d2947d89d6caaab22f057b7055c8",
+                "sha256:f5c71e29b4e2af7ccdc03a020c626ede51da471173b4a6ad1e904f2b2e04b4bd"
+            ],
+            "index": "pypi",
+            "version": "==1.9.0"
+        },
+        "send2trash": {
+            "hashes": [
+                "sha256:60001cc07d707fe247c94f74ca6ac0d3255aabcb930529690897ca2a39db28b2",
+                "sha256:f1691922577b6fa12821234aeb57599d887c4900b9ca537948d2dac34aea888b"
+            ],
+            "index": "pypi",
+            "version": "==1.5.0"
+        },
+        "simplegeneric": {
+            "hashes": [
+                "sha256:dc972e06094b9af5b855b3df4a646395e43d1c9d0d39ed345b7393560d0b9173"
+            ],
+            "index": "pypi",
+            "version": "==0.8.1"
+        },
+        "singledispatch": {
+            "hashes": [
+                "sha256:5b06af87df13818d14f08a028e42f566640aef80805c3b50c5056b086e3c2b9c",
+                "sha256:833b46966687b3de7f438c761ac475213e53b306740f1abfaa86e1d1aae56aa8"
+            ],
+            "index": "pypi",
+            "version": "==3.4.0.3"
+        },
+        "six": {
+            "hashes": [
+                "sha256:70e8a77beed4562e7f14fe23a786b54f6296e34344c23bc42f07b15018ff98e9",
+                "sha256:832dc0e10feb1aa2c68dcc57dbb658f1c7e65b9b61af69048abc87a2db00a0eb"
+            ],
+            "index": "pypi",
+            "version": "==1.11.0"
+        },
+        "stevedore": {
+            "hashes": [
+                "sha256:1e153545aca7a6a49d8337acca4f41c212fbfa60bf864ecd056df0cafb9627e8",
+                "sha256:c7eac1c0d95824c88b655273da5c17cdde6482b2739f47c30bf851dcc9d3c2c0"
+            ],
+            "index": "pypi",
+            "version": "==1.29.0"
+        },
+        "subprocess32": {
+            "hashes": [
+                "sha256:24a7f627ef7a5695138601b665057ad131fa26e80d49d5ffa6b4fdb2357a80d3",
+                "sha256:6bc82992316eef3ccff319b5033809801c0c3372709c5f6985299c88ac7225c3"
+            ],
+            "index": "pypi",
+            "version": "==3.5.3"
+        },
+        "terminado": {
+            "hashes": [
+                "sha256:55abf9ade563b8f9be1f34e4233c7b7bde726059947a593322e8a553cc4c067a",
+                "sha256:65011551baff97f5414c67018e908110693143cfbaeb16831b743fe7cad8b927"
+            ],
+            "index": "pypi",
+            "version": "==0.8.1"
+        },
+        "testpath": {
+            "hashes": [
+                "sha256:46c89ebb683f473ffe2aab0ed9f12581d4d078308a3cb3765d79c6b2317b0109",
+                "sha256:b694b3d9288dbd81685c5d2e7140b81365d46c29f5db4bc659de5aa6b98780f8"
+            ],
+            "index": "pypi",
+            "version": "==0.4.2"
+        },
+        "tornado": {
+            "hashes": [
+                "sha256:0662d28b1ca9f67108c7e3b77afabfb9c7e87bde174fbda78186ecedc2499a9d",
+                "sha256:4e5158d97583502a7e2739951553cbd88a72076f152b4b11b64b9a10c4c49409",
+                "sha256:732e836008c708de2e89a31cb2fa6c0e5a70cb60492bee6f1ea1047500feaf7f",
+                "sha256:8154ec22c450df4e06b35f131adc4f2f3a12ec85981a203301d310abf580500f",
+                "sha256:8e9d728c4579682e837c92fdd98036bd5cdefa1da2aaf6acf26947e6dd0c01c5",
+                "sha256:d4b3e5329f572f055b587efc57d29bd051589fb5a43ec8898c77a47ec2fa2bbb",
+                "sha256:e5f2585afccbff22390cddac29849df463b252b711aa2ce7c5f3f342a5b3b444"
+            ],
+            "index": "pypi",
+            "version": "==5.1.1"
+        },
+        "traitlets": {
+            "hashes": [
+                "sha256:9c4bd2d267b7153df9152698efb1050a5d84982d3384a37b2c1f7723ba3e7835",
+                "sha256:c6cb5e6f57c5a9bdaa40fa71ce7b4af30298fbab9ece9815b5d995ab6217c7d9"
+            ],
+            "index": "pypi",
+            "version": "==4.3.2"
+        },
+        "virtualenv": {
+            "hashes": [
+                "sha256:2ce32cd126117ce2c539f0134eb89de91a8413a29baac49cbab3eb50e2026669",
+                "sha256:ca07b4c0b54e14a91af9f34d0919790b016923d157afda5efdde55c96718f752"
+            ],
+            "index": "pypi",
+            "version": "==16.0.0"
+        },
+        "virtualenv-clone": {
+            "hashes": [
+                "sha256:4507071d81013fd03ea9930ec26bc8648b997927a11fa80e8ee81198b57e0ac7",
+                "sha256:b5cfe535d14dc68dfc1d1bb4ac1209ea28235b91156e2bba8e250d291c3fb4f8"
+            ],
+            "index": "pypi",
+            "version": "==0.3.0"
+        },
+        "virtualenvwrapper": {
+            "hashes": [
+                "sha256:137f7d4509283d798d64509a1a80c57d2d58d900d7a0f827ab67d3104abe232c",
+                "sha256:18d8e4c500c4c4ee794f704e050cf2bbb492537532a4521d1047e7dd1ee4e374"
+            ],
+            "index": "pypi",
+            "version": "==4.8.2"
+        },
+        "wcwidth": {
+            "hashes": [
+                "sha256:3df37372226d6e63e1b1e1eda15c594bca98a22d33a23832a90998faa96bc65e",
+                "sha256:f4ebe71925af7b40a864553f761ed559b43544f8f71746c2d756c7fe788ade7c"
+            ],
+            "index": "pypi",
+            "version": "==0.1.7"
+        },
+        "webencodings": {
+            "hashes": [
+                "sha256:a0af1213f3c2226497a97e2b3aa01a7e4bee4f403f95be16fc9acd2947514a78",
+                "sha256:b36a1c245f2d304965eb4e0a82848379241dc04b865afcc4aab16748587e1923"
+            ],
+            "index": "pypi",
+            "version": "==0.5.1"
+        },
+        "widgetsnbextension": {
+            "hashes": [
+                "sha256:14b2c65f9940c9a7d3b70adbe713dbd38b5ec69724eebaba034d1036cf3d4740",
+                "sha256:fa618be8435447a017fd1bf2c7ae922d0428056cfc7449f7a8641edf76b48265"
+            ],
+            "index": "pypi",
+            "version": "==3.4.2"
+        }
+    },
+    "develop": {}
+}
diff --git a/prototype/nplinker_example_script.py.ipynb b/prototype/nplinker_example_script.py.ipynb
index 7c65f6e6..5bbc6632 100644
--- a/prototype/nplinker_example_script.py.ipynb
+++ b/prototype/nplinker_example_script.py.ipynb
@@ -21,30 +21,24 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 6,
+   "execution_count": 3,
    "metadata": {},
    "outputs": [],
    "source": [
     "from nplinker_constants import nplinker_setup\n",
-    "nplinker_setup(LDA_PATH='/Users/simon/git/lda/code')"
+    "nplinker_setup(LDA_PATH='/home/simon/git/lda/code')"
    ]
   },
   {
    "cell_type": "code",
-   "execution_count": 11,
+   "execution_count": 5,
    "metadata": {},
    "outputs": [
     {
-     "ename": "FileNotFoundError",
-     "evalue": "[Errno 2] No such file or directory: '/srv/data/crusemann/gnps/METABOLOMICS-SNETS-c36f90ba-download_clustered_spectra-main.mgf'",
-     "output_type": "error",
-     "traceback": [
-      "\u001b[0;31m---------------------------------------------------------------------------\u001b[0m",
-      "\u001b[0;31mFileNotFoundError\u001b[0m                         Traceback (most recent call last)",
-      "\u001b[0;32m<ipython-input-11-24014e7a0ff6>\u001b[0m in \u001b[0;36m<module>\u001b[0;34m\u001b[0m\n\u001b[1;32m      1\u001b[0m \u001b[0;32mfrom\u001b[0m \u001b[0mmetabolomics\u001b[0m \u001b[0;32mimport\u001b[0m \u001b[0mload_spectra\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m      2\u001b[0m \u001b[0mmgf_file\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0;34m'/srv/data/crusemann/gnps/METABOLOMICS-SNETS-c36f90ba-download_clustered_spectra-main.mgf'\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m----> 3\u001b[0;31m \u001b[0mspectra\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mload_spectra\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mmgf_file\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m",
-      "\u001b[0;32m~/git/nplinker/prototype/metabolomics.py\u001b[0m in \u001b[0;36mload_spectra\u001b[0;34m(mgf_file)\u001b[0m\n\u001b[1;32m    116\u001b[0m \u001b[0;32mdef\u001b[0m \u001b[0mload_spectra\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mmgf_file\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m    117\u001b[0m         \u001b[0;32mfrom\u001b[0m \u001b[0mms2lda_feature_extraction\u001b[0m \u001b[0;32mimport\u001b[0m \u001b[0mLoadMGF\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m--> 118\u001b[0;31m         \u001b[0mms1\u001b[0m\u001b[0;34m,\u001b[0m\u001b[0mms2\u001b[0m\u001b[0;34m,\u001b[0m\u001b[0mmetadata\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mLoadMGF\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mname_field\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0;34m'scans'\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mload_spectra\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m[\u001b[0m\u001b[0mmgf_file\u001b[0m\u001b[0;34m]\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m    119\u001b[0m         \u001b[0mprint\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m\"Loaded {} molecules\"\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mformat\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mlen\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mms1\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m    120\u001b[0m         \u001b[0;32mreturn\u001b[0m \u001b[0mmols_to_spectra\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mms2\u001b[0m\u001b[0;34m,\u001b[0m\u001b[0mmetadata\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
-      "\u001b[0;32m~/git/lda/code/ms2lda_feature_extraction.py\u001b[0m in \u001b[0;36mload_spectra\u001b[0;34m(self, input_set)\u001b[0m\n\u001b[1;32m   1386\u001b[0m             \u001b[0;31m## Use built-in method to get file_name\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   1387\u001b[0m             \u001b[0mfile_name\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mos\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mpath\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mbasename\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0minput_file\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m-> 1388\u001b[0;31m             \u001b[0;32mwith\u001b[0m \u001b[0mopen\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0minput_file\u001b[0m\u001b[0;34m,\u001b[0m\u001b[0;34m'r'\u001b[0m\u001b[0;34m)\u001b[0m \u001b[0;32mas\u001b[0m \u001b[0mf\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m\u001b[1;32m   1389\u001b[0m                 \u001b[0mtemp_metadata\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0;34m{\u001b[0m\u001b[0;34m}\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m   1390\u001b[0m                 \u001b[0min_doc\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0;32mFalse\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
-      "\u001b[0;31mFileNotFoundError\u001b[0m: [Errno 2] No such file or directory: '/srv/data/crusemann/gnps/METABOLOMICS-SNETS-c36f90ba-download_clustered_spectra-main.mgf'"
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Loaded 5930 molecules\n"
      ]
     }
    ],
@@ -56,7 +50,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 5,
+   "execution_count": 6,
    "metadata": {},
    "outputs": [],
    "source": [
@@ -65,7 +59,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 6,
+   "execution_count": 7,
    "metadata": {},
    "outputs": [],
    "source": [
@@ -75,17 +69,91 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 10,
+   "execution_count": 9,
    "metadata": {},
    "outputs": [
     {
      "name": "stdout",
      "output_type": "stream",
      "text": [
+      "[('Sorbitane Monopalmitate - Polysorbate 40 in-source fragment', 'gnps')]\n",
+      "[('Massbank:FFF00078 Stigmastanol', 'gnps')]\n",
+      "[('Sorbitane Monopalmitate - Polysorbate 40 in-source fragment', 'gnps')]\n",
+      "[('Massbank:FFF00098 24-Ethylcoprostanol', 'gnps')]\n",
+      "[('Sorbitane Monopalmitate - Polysorbate 40 in-source fragment', 'gnps')]\n",
+      "[('Sorbitane Monopalmitate - Polysorbate 40 in-source fragment', 'gnps')]\n",
+      "[('Sorbitane Monopalmitate - Polysorbate 40 in-source fragment', 'gnps')]\n",
+      "[('(2R,3R,4S,6R)-2-((10-hydroxy-2,2-dimethyl-3,4-dihydro-2H-benzo[g]chromen-5-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol', 'gnps')]\n",
+      "[('MLS001060855-01!', 'gnps')]\n",
+      "[('Massbank:CE000164 S,R-Noscapine', 'gnps')]\n",
+      "[('MLS000876958-01!2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7,8-tetramethoxychromen-4-one', 'gnps')]\n",
+      "[('Sevadicin', 'gnps')]\n",
+      "[('MLS000830274-01!Ethmozine', 'gnps')]\n",
+      "[('8-desoxyenterocin', 'gnps')]\n",
+      "[('Sorbitane Monostearate - Polysorbate 60 in-source fragment', 'gnps')]\n",
+      "[('Sorbitane Monostearate - Polysorbate 60 in-source fragment', 'gnps')]\n",
+      "[('Sorbitane Monostearate - Polysorbate 60 in-source fragment', 'gnps')]\n",
+      "[('Sorbitane Monostearate - Polysorbate 60 in-source fragment', 'gnps')]\n",
+      "[('ReSpect:PS087410 Vitexin|Vitx|apigenin-8-C-glucoside|8-beta-D-Glucopyranosyl-apigenin|Orientoside', 'gnps')]\n",
+      "[('Sorbitane Monostearate - Polysorbate 60 in-source fragment', 'gnps')]\n",
+      "[('Sorbitane Monostearate - Polysorbate 60 in-source fragment', 'gnps')]\n",
+      "[('B21A03', 'gnps')]\n",
+      "[('Enterocin', 'gnps')]\n",
+      "[('HMDB:HMDB00631-862 Deoxycholic acid glycine conjugate', 'gnps')]\n",
+      "[('Massbank:BML00870 11-(2-bromo-3,6-dimethoxyphenyl)-3,3-dimethyl-2,3,4-trihydro-5H,10H,11H-benzo[ b]benzo[2,1-f]1,4-diazepin-1-one', 'gnps')]\n",
+      "[('Glycocholic acid', 'gnps')]\n",
+      "[('Glycocholic acid', 'gnps')]\n",
+      "[('Staurosporine', 'gnps')]\n",
+      "[('Staurosporine', 'gnps')]\n",
+      "[('Loperamide hydrochloride', 'gnps')]\n",
+      "[('Massbank:PR040097 Isorhamnetin-3-O-glucoside|Isor_3_Glc|5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one', 'gnps')]\n",
+      "[('7-OH-staurosporine', 'gnps')]\n",
+      "[('7-OH-staurosporine', 'gnps')]\n",
+      "[('7-OH-staurosporine', 'gnps')]\n",
+      "[('7-OH-staurosporine', 'gnps')]\n",
+      "[('7-OH-staurosporine', 'gnps')]\n",
+      "[(\"CYTIDINE 5'-DIPHOSPHOCHOLINE\", 'gnps')]\n",
+      "[('1-Palmitoyl-sn-glycero-3-phosphocholine', 'gnps')]\n",
+      "[('Alteramide B', 'gnps')]\n",
+      "[('MLS000563039-01!', 'gnps')]\n",
+      "[('1-Oleoyl-sn-glycero-3-phosphocholine', 'gnps')]\n",
+      "[('Antimycin A1', 'gnps')]\n",
+      "[('Massbank:EA285507 Dronedarone|N-[2-butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]-1-benzofuran-5-yl]methanesulfonamide', 'gnps')]\n",
+      "[('MLS000028713-01!DEFEROXAMINE MESYLATE', 'gnps')]\n",
+      "[('Rosamicin', 'gnps')]\n",
+      "[('Rosamicin', 'gnps')]\n",
+      "[('MLS000863563-01!1,11,22-trihydroxy-1,6,11,16,22,27-hexazacyclodotriacontane-2,5,12,15,23,26-hexone', 'gnps')]\n",
+      "[('MLS000863563-01!1,11,22-trihydroxy-1,6,11,16,22,27-hexazacyclodotriacontane-2,5,12,15,23,26-hexone', 'gnps')]\n",
+      "[('21-hydroxyrosamicin ', 'gnps')]\n",
+      "[('21-hydroxyrosamicin ', 'gnps')]\n",
+      "[('21-hydroxyrosamicin ', 'gnps')]\n",
+      "[('18-dihydro-21-hydroxyrosamicin ', 'gnps')]\n",
+      "[('Desferrioxamine E', 'gnps')]\n",
+      "[('Desferrioxamine E', 'gnps')]\n",
+      "[('Desferrioxamine E', 'gnps')]\n",
+      "[(\"ReSpect:PT212210 Cyanidin-3-O-(2''-O-beta-glucopyranosyl-beta-glucopyranoside)|Cy 3-Soph|cyanidin-3-sophoroside|(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-4,5-di\", 'gnps')]\n",
+      "[('Desferrioxamine E', 'gnps')]\n",
+      "[('GranisetronHCl', 'gnps')]\n",
+      "[('GranisetronHCl', 'gnps')]\n",
+      "[('Progesterone', 'gnps')]\n",
+      "[('Rifamycin W', 'gnps')]\n",
+      "[('Rifamycin W', 'gnps')]\n",
+      "[('Arenimycin A', 'gnps')]\n",
+      "[('Arenimycin A', 'gnps')]\n",
+      "[('Lomaiviticin C', 'gnps')]\n",
+      "[('Lomaiviticin D', 'gnps')]\n",
       "[('Lomaiviticin A', 'gnps')]\n",
+      "[('1,2-dipalmitoyl-sn-glycero-3-phosphoethanolamine', 'gnps')]\n",
+      "[('1,2-dipalmitoyl-sn-glycero-3-phosphoethanolamine', 'gnps')]\n",
+      "[('1,2-dipalmitoyl-sn-glycero-3-phosphoethanolamine', 'gnps')]\n",
+      "[('1,2-dipalmitoyl-sn-glycero-3-phosphoethanolamine', 'gnps')]\n",
+      "[('Rifamycin S', 'gnps')]\n",
+      "[('Acyl desferrioxamine C13', 'gnps')]\n",
+      "[('Acyl desferrioxamine C15', 'gnps')]\n",
+      "[('Arenimycin B', 'gnps')]\n",
+      "[('MS_Contaminant_Sodium_Formate_Cluster', 'gnps')]\n",
       "[('MS_Contaminant_Sodium_Formate_Cluster', 'gnps')]\n",
       "[('MS_Contaminant_Sodium_Formate_Cluster', 'gnps')]\n",
-      "[('Sorbitane Monopalmitate - Polysorbate 40 in-source fragment', 'gnps')]\n",
       "[('MS_Contaminant_Sodium_Formate_Cluster', 'gnps')]\n",
       "[('MS_Contaminant_Sodium_Formate_Cluster', 'gnps')]\n",
       "[('MS_Contaminant_Sodium_Formate_Cluster', 'gnps')]\n",
@@ -102,108 +170,34 @@
       "[('MS_Contaminant_Sodium_Formate_Cluster', 'gnps')]\n",
       "[('MS_Contaminant_Sodium_Formate_Cluster', 'gnps')]\n",
       "[('MS_Contaminant_Sodium_Formate_Cluster', 'gnps')]\n",
-      "[('Staurosporine', 'gnps')]\n",
-      "[('Staurosporine', 'gnps')]\n",
       "[('MS_Contaminant_Sodium_Formate_Cluster', 'gnps')]\n",
       "[('MS_Contaminant_Sodium_Formate_Cluster', 'gnps')]\n",
       "[('desmethylsalinamide E', 'gnps')]\n",
       "[('Salinamide E', 'gnps')]\n",
-      "[('Rosamicin', 'gnps')]\n",
-      "[('Enterocin', 'gnps')]\n",
-      "[('HMDB:HMDB00631-862 Deoxycholic acid glycine conjugate', 'gnps')]\n",
-      "[('Sodium Formate', 'gnps')]\n",
-      "[('GranisetronHCl', 'gnps')]\n",
-      "[('GranisetronHCl', 'gnps')]\n",
-      "[('Progesterone', 'gnps')]\n",
-      "[('Massbank:BML00870 11-(2-bromo-3,6-dimethoxyphenyl)-3,3-dimethyl-2,3,4-trihydro-5H,10H,11H-benzo[ b]benzo[2,1-f]1,4-diazepin-1-one', 'gnps')]\n",
-      "[('7-OH-staurosporine', 'gnps')]\n",
-      "[('MLS000863563-01!1,11,22-trihydroxy-1,6,11,16,22,27-hexazacyclodotriacontane-2,5,12,15,23,26-hexone', 'gnps')]\n",
-      "[('MLS000863563-01!1,11,22-trihydroxy-1,6,11,16,22,27-hexazacyclodotriacontane-2,5,12,15,23,26-hexone', 'gnps')]\n",
-      "[('Desferrioxamine E', 'gnps')]\n",
-      "[('1,2-dipalmitoyl-sn-glycero-3-phosphoethanolamine', 'gnps')]\n",
       "[('Ammosamide B trimer', 'gnps')]\n",
-      "[('21-hydroxyrosamicin ', 'gnps')]\n",
-      "[('MLS000830274-01!Ethmozine', 'gnps')]\n",
-      "[('21-hydroxyrosamicin ', 'gnps')]\n",
-      "[('Sorbitane Monostearate - Polysorbate 60 in-source fragment', 'gnps')]\n",
-      "[('Sorbitane Monostearate - Polysorbate 60 in-source fragment', 'gnps')]\n",
-      "[('Sorbitane Monostearate - Polysorbate 60 in-source fragment', 'gnps')]\n",
-      "[('ReSpect:PS087410 Vitexin|Vitx|apigenin-8-C-glucoside|8-beta-D-Glucopyranosyl-apigenin|Orientoside', 'gnps')]\n",
-      "[('Sorbitane Monostearate - Polysorbate 60 in-source fragment', 'gnps')]\n",
-      "[('Sorbitane Monostearate - Polysorbate 60 in-source fragment', 'gnps')]\n",
-      "[('MLS000876958-01!2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7,8-tetramethoxychromen-4-one', 'gnps')]\n",
+      "[('Sodium Formate', 'gnps')]\n",
+      "[('MS_Contaminant_Sodium_Formate_Cluster', 'gnps')]\n",
       "[('Salinamide A', 'gnps')]\n",
       "[('Cyclomarin A', 'gnps')]\n",
-      "[('Massbank:EA285507 Dronedarone|N-[2-butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]-1-benzofuran-5-yl]methanesulfonamide', 'gnps')]\n",
-      "[('MLS000028713-01!DEFEROXAMINE MESYLATE', 'gnps')]\n",
-      "[('1-Palmitoyl-sn-glycero-3-phosphocholine', 'gnps')]\n",
-      "[('Alteramide B', 'gnps')]\n",
       "[('MS_Contaminant_Sodium_Formate_Cluster', 'gnps')]\n",
-      "[('B21A03', 'gnps')]\n",
-      "[('(2R,3R,4S,6R)-2-((10-hydroxy-2,2-dimethyl-3,4-dihydro-2H-benzo[g]chromen-5-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol', 'gnps')]\n",
-      "[('Loperamide hydrochloride', 'gnps')]\n",
+      "[('MS_Contaminant_Sodium_Formate_Cluster', 'gnps')]\n",
       "[('Salinamide B', 'gnps')]\n",
-      "[('21-hydroxyrosamicin ', 'gnps')]\n",
-      "[('18-dihydro-21-hydroxyrosamicin ', 'gnps')]\n",
-      "[('Desferrioxamine E', 'gnps')]\n",
-      "[('Desferrioxamine E', 'gnps')]\n",
-      "[('Desferrioxamine E', 'gnps')]\n",
       "[('pumilacidin_E_14342_dereplictor_pv_1.13518e-25', 'gnps')]\n",
-      "[('Antimycin A1', 'gnps')]\n",
-      "[('MLS000563039-01!', 'gnps')]\n",
-      "[('Arenimycin A', 'gnps')]\n",
-      "[('Arenimycin A', 'gnps')]\n",
-      "[('Lomaiviticin C', 'gnps')]\n",
-      "[('Rifamycin W', 'gnps')]\n",
-      "[('Rifamycin W', 'gnps')]\n",
-      "[(\"CYTIDINE 5'-DIPHOSPHOCHOLINE\", 'gnps')]\n",
-      "[('1,2-dipalmitoyl-sn-glycero-3-phosphoethanolamine', 'gnps')]\n",
-      "[('1,2-dipalmitoyl-sn-glycero-3-phosphoethanolamine', 'gnps')]\n",
-      "[('1,2-dipalmitoyl-sn-glycero-3-phosphoethanolamine', 'gnps')]\n",
-      "[('Rifamycin S', 'gnps')]\n",
-      "[('Lomaiviticin D', 'gnps')]\n",
-      "[('Rosamicin', 'gnps')]\n",
-      "[('Acyl desferrioxamine C15', 'gnps')]\n",
-      "[('Glycocholic acid', 'gnps')]\n",
-      "[('Glycocholic acid', 'gnps')]\n",
-      "[('MLS001060855-01!', 'gnps')]\n",
-      "[('Massbank:CE000164 S,R-Noscapine', 'gnps')]\n",
-      "[('Sorbitane Monopalmitate - Polysorbate 40 in-source fragment', 'gnps')]\n",
-      "[('Massbank:FFF00078 Stigmastanol', 'gnps')]\n",
-      "[('Sorbitane Monopalmitate - Polysorbate 40 in-source fragment', 'gnps')]\n",
-      "[('Massbank:FFF00098 24-Ethylcoprostanol', 'gnps')]\n",
-      "[('Sorbitane Monopalmitate - Polysorbate 40 in-source fragment', 'gnps')]\n",
-      "[('Sorbitane Monopalmitate - Polysorbate 40 in-source fragment', 'gnps')]\n",
       "[('Aurantin_II_24051_dereplictor_pv_9.12748e-26', 'gnps')]\n",
-      "[('Actinomycin_X2;_Actinomycin_V;_Actinomyc_28731_dereplictor_pv_1.70529e-21', 'gnps')]\n",
-      "[('1-Oleoyl-sn-glycero-3-phosphocholine', 'gnps')]\n",
-      "[('Massbank:PR040097 Isorhamnetin-3-O-glucoside|Isor_3_Glc|5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one', 'gnps')]\n",
-      "[('7-OH-staurosporine', 'gnps')]\n",
-      "[('7-OH-staurosporine', 'gnps')]\n",
-      "[('7-OH-staurosporine', 'gnps')]\n",
-      "[('7-OH-staurosporine', 'gnps')]\n",
-      "[('Acyl desferrioxamine C13', 'gnps')]\n",
-      "[('MS_Contaminant_Sodium_Formate_Cluster', 'gnps')]\n",
-      "[('MS_Contaminant_Sodium_Formate_Cluster', 'gnps')]\n",
-      "[('8-desoxyenterocin', 'gnps')]\n",
-      "[(\"ReSpect:PT212210 Cyanidin-3-O-(2''-O-beta-glucopyranosyl-beta-glucopyranoside)|Cy 3-Soph|cyanidin-3-sophoroside|(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-4,5-di\", 'gnps')]\n",
-      "[('Sevadicin', 'gnps')]\n",
-      "[('Arenimycin B', 'gnps')]\n",
-      "[('Sorbitane Monostearate - Polysorbate 60 in-source fragment', 'gnps')]\n",
-      "[('MS_Contaminant_Sodium_Formate_Cluster', 'gnps')]\n"
+      "[('Actinomycin_X2;_Actinomycin_V;_Actinomyc_28731_dereplictor_pv_1.70529e-21', 'gnps')]\n"
      ]
     }
    ],
    "source": [
     "for s in spectra:\n",
     "    if len(s.annotations) > 0:\n",
-    "        print s.annotations\n",
+    "        print(s.annotations)\n",
     "\n"
    ]
   },
   {
    "cell_type": "code",
-   "execution_count": 11,
+   "execution_count": 10,
    "metadata": {},
    "outputs": [],
    "source": [
@@ -216,7 +210,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 12,
+   "execution_count": 11,
    "metadata": {},
    "outputs": [],
    "source": [
@@ -251,7 +245,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 13,
+   "execution_count": 12,
    "metadata": {},
    "outputs": [],
    "source": [
@@ -1847,7 +1841,7 @@
    "name": "python",
    "nbconvert_exporter": "python",
    "pygments_lexer": "ipython3",
-   "version": "3.7.0"
+   "version": "3.6.5"
   }
  },
  "nbformat": 4,
diff --git a/requirements.txt b/requirements.txt
index 770fc54c..a25c53c9 100644
--- a/requirements.txt
+++ b/requirements.txt
@@ -10,8 +10,6 @@ decorator==4.3.0
 defusedxml==0.5.0
 entrypoints==0.2.3
 enum34==1.1.6
-functools32==3.2.3.post2
-futures==3.2.0
 ipaddress==1.0.22
 ipykernel==4.10.0
 ipython==5.8.0