# Z-Screen Dataset: Global Data Map & Architecture Summary

This report maps the structural dimensions, screening configurations, cell lines, libraries, and device associations for the current dataset.

> [!NOTE]
> This dataset contains transcriptomic counts representing **768,162 nanowells** profiled across **49 devices** (0–48), testing **14 libraries** against **6 cell lines / clone variants**.
> 
> **Nanowell Architecture:** Each row/observation in the data represents a single **nanowell** rather than an individual cell. Each physical nanowell is **90 microns in diameter by 120 microns tall** and holds approximately **2–10 cells**.

---

## 📊 High-Level Metrics

| Metric | Count | Details |
| :--- | :--- | :--- |
| **Total Wells (Observations)** | **768,162** | Mapped 1-to-1 across `MasterFile`, `chemistry`, and `counts.h5ad` |
| **Total Features (Genes)** | **46,944** | Gene expression profiles stored in `counts.h5ad` |
| **Screening Devices** | **49** | Numbered 0 to 48 |
| **Unique Cell Lines** | **6** | HEK293, HEK293-clone, A549, H1650, THP1, AEC7 |
| **Screened Libraries** | **14** | 9 Named control compounds/control libraries, 3 OBOC libraries, 2 Control bead libraries |
| **Unique Compounds / Precursors** | **142,227** | 78 named controls, 142,149 OBOC building blocks, and controls |

---

## 🧪 Libraries & Nomenclature Breakdown

The screening libraries and control sets are classified using the following nomenclature:
* **`ZEL` Prefix**: Represents **One-Bead One-Compound (OBOC) combinatorial libraries** (testing building block precursor fragments, e.g., `ZEL024`, `ZEL028-2`, `ZEL031`).
* **`ZIC` Prefix**: Represents **named control compounds** (testing targeted, fully synthesized compounds, e.g., target inhibition screen `ZIC008`).
* **No-Compound Controls**: 
  * **`ZEL026-2`** represents a **set of no-compound control beads** (not a combinatorial library).
  * **`ZIC005`** & **`ZIC005-2`** represent **no-compound controls** (with `ZIC005` profiling water/vehicle controls).

| Library | Nomenclature Category | Unique Compound IDs | Unique SMILES | Unique Names | Nanowell Count |
| :--- | :--- | :---: | :---: | :---: | :---: |
| **ZIC008** | Named Control Compounds | 35 | 35 | 35 | 256,052 |
| **ZEL024** | OBOC Combinatorial Library | 13,934 | 13,934 | 1 | 175,285 |
| **ZEL028-2** | OBOC Combinatorial Library | 117,950 | 117,950 | 1 | 134,821 |
| **ZEL026-2** | No-Compound Control Beads | 0 | 0 | 1 | 95,583 |
| **ZEL031** | OBOC Combinatorial Library | 10,265 | 10,265 | 1 | 43,241 |
| **ZIC009** | Named Control Compounds | 31 | 31 | 31 | 31,107 |
| **ZIC002** | Named Control Compounds | 7 | 0 | 7 | 10,999 |
| **ZIC005-2** | No-Compound Control | 0 | 0 | 1 | 7,891 |
| **ZIC001** | Named Control Compounds | 2 | 2 | 2 | 6,569 |
| **ZIC006** | Named Control Compounds | 1 | 1 | 1 | 2,099 |
| **ZIC004** | Named Control Compounds | 1 | 1 | 1 | 1,913 |
| **ZIC003** | Named Control Compounds | 2 | 0 | 2 | 1,880 |
| **ZIC007** | Named Control Compounds | 4 | 4 | 4 | 565 |
| **ZIC005** | No-Compound Control (Water) | 1 | 1 | 1 | 157 |
| **Total** | | **142,227** | **142,218** | **79** | **768,162** |

---

## 🧫 Cell Line Screen Matrix

The table below shows the nanowell count distribution for each library screened across each cell line:

| Library | A549 | AEC7 | H1650 | HEK293 | HEK293-clone | THP1 | Total Wells |
| :--- | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
| **ZEL024** | 0 | 0 | 21,545 | 153,740 | 0 | 0 | 175,285 |
| **ZEL026-2** | 26,718 | 36,827 | 17,086 | 0 | 14,952 | 0 | 95,583 |
| **ZEL028-2** | 42,435 | 0 | 26,694 | 65,692 | 0 | 0 | 134,821 |
| **ZEL031** | 20,868 | 0 | 431 | 0 | 0 | 21,942 | 43,241 |
| **ZIC001** | 0 | 0 | 1,229 | 3,858 | 0 | 1,482 | 6,569 |
| **ZIC002** | 0 | 0 | 806 | 9,558 | 0 | 635 | 10,999 |
| **ZIC003** | 0 | 0 | 378 | 919 | 0 | 583 | 1,880 |
| **ZIC004** | 122 | 0 | 411 | 0 | 0 | 1,380 | 1,913 |
| **ZIC005** | 0 | 0 | 109 | 0 | 0 | 48 | 157 |
| **ZIC005-2** | 0 | 7,891 | 0 | 0 | 0 | 0 | 7,891 |
| **ZIC006** | 207 | 0 | 631 | 0 | 0 | 1,261 | 2,099 |
| **ZIC007** | 0 | 0 | 452 | 0 | 0 | 113 | 565 |
| **ZIC008** | 84,952 | 91,448 | 26,382 | 19,010 | 34,260 | 0 | 256,052 |
| **ZIC009** | 0 | 31,107 | 0 | 0 | 0 | 0 | 31,107 |

---

## 📱 Devices Analysis & Metadata Mapping

### 1. Is each device an individual cell line?
**Yes.** Every physical screening device (0–48) runs exactly **one cell line** (no cell line mixing on-chip).

### 2. Is each device a unique library?
**No.** Every device contains **multiple libraries** (ranging from **2 to 8** libraries pooled per device).

### 3. How many devices contain no-compound controls?
* **No-Compound Controls**: Present in **24 devices** (Devices 8, 9, 17, 18, 21, 22, 29, 30, and 33 through 48, representing `capture_only` roles and water vehicle control sets).
* **OBOC Combinatorial Libraries**: Present in **24 devices** (Devices 0–7, 10, 12–16, 19, 20, 23–28, 31, 32).
* **Only 1 Device (Device 11)** contains named control compounds exclusively with no-compound or combinatorial controls.

---

## 🗺️ Detailed Device Map

The device-by-device configuration shows cell line mapping and library counts:

| Device ID | Cell Line | Libraries Mapped | Wells Count | Control Roles |
| :---: | :--- | :--- | :---: | :--- |
| **Device 0** | HEK293 | `ZEL024, ZIC002, ZIC001` | 27,361 | OBOC Library (25,310), Named Controls (2,051) |
| **Device 1** | HEK293 | `ZEL024, ZIC002, ZIC001` | 22,011 | OBOC Library (20,398), Named Controls (1,613) |
| **Device 2** | HEK293 | `ZEL024, ZIC002, ZIC001` | 32,906 | OBOC Library (30,307), Named Controls (2,599) |
| **Device 3** | HEK293 | `ZEL024, ZIC002, ZIC001` | 30,518 | OBOC Library (28,064), Named Controls (2,454) |
| **Device 4** | HEK293 | `ZEL024, ZIC003, ZIC002, ZIC001` | 30,013 | OBOC Library (26,973), Named Controls (3,040) |
| **Device 5** | HEK293 | `ZEL024, ZIC003, ZIC002, ZIC001` | 25,266 | OBOC Library (22,688), Named Controls (2,578) |
| **Device 6** | H1650 | `ZEL024, ZIC002, ZIC005, ZIC001, ZIC003` | 20,099 | OBOC Library (19,253), Named Controls (846 - including ZIC005 Water Control) |
| **Device 7** | H1650 | `ZEL024, ZIC003, ZIC005, ZIC002, ZIC001` | 2,555 | OBOC Library (2,292), Named Controls (263 - including ZIC005 Water Control) |
| **Device 8** | H1650 | `ZEL026-2, ZIC007, ZIC004, ZIC006, ZIC003, ZIC002, ZIC001` | 12,422 | No-Compound Control Beads (10,369), Named Controls (2,053) |
| **Device 9** | H1650 | `ZEL026-2, ZIC006, ZIC003, ZIC004, ZIC002, ZIC001, ZIC007` | 7,571 | No-Compound Control Beads (6,717), Named Controls (854) |
| **Device 10** | THP1 | `ZIC006, ZEL031, ZIC007, ZIC004, ZIC005, ZIC002, ZIC003, ZIC001` | 3,748 | OBOC Library (2,837), Named Controls (911 - including ZIC005 Water Control) |
| **Device 11** | A549 | `ZIC006, ZIC004` | 257 | Named Controls (257) |
| **Device 12** | THP1 | `ZEL031, ZIC004, ZIC006, ZIC003, ZIC002, ZIC001` | 23,696 | OBOC Library (19,105), Named Controls (4,591) |
| **Device 13** | A549 | `ZIC008, ZEL031` | 13,602 | Named Controls (7,771), OBOC Library (5,831) |
| **Device 14** | A549 | `ZIC008, ZEL031` | 9,878 | Named Controls (5,583), OBOC Library (4,295) |
| **Device 15** | A549 | `ZIC008, ZEL031` | 16,898 | Named Controls (11,376), OBOC Library (5,522) |
| **Device 16** | A549 | `ZIC008, ZEL031` | 12,261 | Named Controls (7,041), OBOC Library (5,220) |
| **Device 17** | A549 | `ZIC008, ZEL026-2, ZIC004` | 13,675 | Named Controls (9,757), No-Compound Control Beads (3,918) |
| **Device 18** | A549 | `ZIC008, ZEL026-2, ZIC004` | 11,332 | Named Controls (8,428), No-Compound Control Beads (2,904) |
| **Device 19** | H1650 | `ZIC008, ZEL031` | 6,390 | Named Controls (6,283), OBOC Library (107) |
| **Device 20** | H1650 | `ZIC008, ZEL031` | 14,227 | Named Controls (13,903), OBOC Library (324) |
| **Device 21** | A549 | `ZEL026-2, ZIC008` | 27,839 | Named Controls (15,125), No-Compound Control Beads (12,714) |
| **Device 22** | A549 | `ZIC008, ZEL026-2` | 18,240 | Named Controls (11,058), No-Compound Control Beads (7,182) |
| **Device 23** | A549 | `ZIC008, ZEL028-2` | 23,608 | OBOC Library (20,152), Named Controls (3,456) |
| **Device 24** | H1650 | `ZIC008, ZEL028-2` | 14,178 | OBOC Library (12,056), Named Controls (2,122) |
| **Device 25** | A549 | `ZIC008, ZEL028-2` | 27,712 | OBOC Library (22,283), Named Controls (5,429) |
| **Device 26** | H1650 | `ZIC008, ZEL028-2` | 18,712 | OBOC Library (14,638), Named Controls (4,074) |
| **Device 27** | HEK293 | `ZIC008, ZEL028-2` | 17,999 | OBOC Library (14,494), Named Controls (3,505) |
| **Device 28** | HEK293 | `ZIC008, ZEL028-2` | 15,808 | OBOC Library (12,865), Named Controls (2,943) |
| **Device 29** | HEK293-clone | `ZIC008, ZEL026-2` | 27,829 | Named Controls (19,951), No-Compound Control Beads (7,878) |
| **Device 30** | HEK293-clone | `ZIC008, ZEL026-2` | 21,383 | Named Controls (14,309), No-Compound Control Beads (7,074) |
| **Device 31** | HEK293 | `ZIC008, ZEL028-2` | 27,521 | OBOC Library (20,770), Named Controls (6,751) |
| **Device 32** | HEK293 | `ZIC008, ZEL028-2` | 23,374 | OBOC Library (17,563), Named Controls (5,811) |
| **Device 33** | AEC7 | `ZIC008, ZEL026-2, ZIC009` | 11,498 | Named Controls (7,910), No-Compound Control Beads (3,588) |
| **Device 34** | AEC7 | `ZEL026-2, ZIC008, ZIC009` | 11,250 | Named Controls (7,340), No-Compound Control Beads (3,910) |
| **Device 35** | AEC7 | `ZIC008, ZEL026-2, ZIC009` | 9,165 | Named Controls (6,075), No-Compound Control Beads (3,090) |
| **Device 36** | AEC7 | `ZIC008, ZEL026-2, ZIC009` | 12,111 | Named Controls (8,004), No-Compound Control Beads (4,107) |
| **Device 37** | AEC7 | `ZIC008, ZEL026-2, ZIC009` | 13,390 | Named Controls (9,358), No-Compound Control Beads (4,032) |
| **Device 38** | AEC7 | `ZEL026-2, ZIC008, ZIC009` | 17,504 | Named Controls (12,360), No-Compound Control Beads (5,144) |
| **Device 39** | AEC7 | `ZIC008, ZEL026-2, ZIC009` | 21,192 | Named Controls (13,801), No-Compound Control Beads (7,391) |
| **Device 40** | AEC7 | `ZIC008, ZEL026-2, ZIC009` | 16,318 | Named Controls (10,753), No-Compound Control Beads (5,565) |
| **Device 41** | AEC7 | `ZIC008, ZIC005-2, ZIC009` | 2,929 | Named Controls (2,587), No-Compound Control (342) |
| **Device 42** | AEC7 | `ZIC008, ZIC009, ZIC005-2` | 4,660 | Named Controls (3,990), No-Compound Control (670) |
| **Device 43** | AEC7 | `ZIC008, ZIC005-2, ZIC009` | 11,537 | Named Controls (9,698), No-Compound Control (1,839) |
| **Device 44** | AEC7 | `ZIC008, ZIC005-2, ZIC009` | 10,472 | Named Controls (8,618), No-Compound Control (1,854) |
| **Device 45** | AEC7 | `ZIC008, ZIC005-2, ZIC009` | 7,223 | Named Controls (6,209), No-Compound Control (1,014) |
| **Device 46** | AEC7 | `ZIC008, ZIC005-2, ZIC009` | 8,258 | Named Controls (7,242), No-Compound Control (1,016) |
| **Device 47** | AEC7 | `ZIC008, ZIC009, ZIC005-2` | 5,983 | Named Controls (5,136), No-Compound Control (847) |
| **Device 48** | AEC7 | `ZIC008, ZIC005-2, ZIC009` | 3,783 | Named Controls (3,474), No-Compound Control (309) |